SCHEMBL1008694

SCHEMBL1008694

COc1cc(-c2nc(NC(=O)c3cc4cc(C)cc(C)c4n3CC(=O)O)sc2CCC2CCCCC2)c(OC)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 7/20 0.36
PI4KB Q9UBF8 2/20 0.33
PLTP P55058 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32
CCKAR P32238 1/20 0.32
KMT2A Q03164 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
GAA P10253 1/20 0.32
ACHE P22303 2/20 0.31
HTR4 Q13639 2/20 0.31
SIGMAR1 Q99720 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29403637 1.00 TRPV4 (0.36) TRPV4PI4KBPLTPMAPTLMNA
Diethylamine SCHEMBL7031731 0.97 TRPV4 (0.34) TRPV4PI4KBPLTPMAPTLMNA
Trifluoroacetic Acid SCHEMBL30480661 0.97 TRPV4 (0.34) TRPV4PI4KBPLTPMAPTLMNA
Trifluoroacetic Acid SCHEMBL226079 0.97 TRPV4 (0.34) TRPV4PI4KBPLTPMAPTLMNA
Monoethanolamine SCHEMBL7032257 0.96 TRPV4 (0.34) TRPV4PI4KBPLTPMAPTLMNA
Monoethanolamine SCHEMBL7031750 0.95 TRPV4 (0.33) TRPV4PI4KBPLTPACHEHTR4
Diethanolamine SCHEMBL7021233 0.95 TRPV4 (0.33) TRPV4PI4KBPLTP
SCHEMBL7682713 0.95 TRPV4 (0.35) TRPV4PI4KBPLTPMAPTLMNA
SCHEMBL7688727 0.95 TRPV4 (0.36) TRPV4PI4KBPLTPMAPTLMNA
SCHEMBL7686063 0.95 TRPV4 (0.39) TRPV4PLTPMAPTLMNATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 273 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380230-B1 FOR THERAPY OF DYSKINESIA, OBESITY, IRRITABLE BOWEL SYNDROME, DISEASES WHOSE TREATMENT REQUIRES STIMULATION OF THE CHOLECYSTOKININ CCK-A RECEPTORS SANOFI-SYNTHELABO (FR) 2002-04-30 US claimed
EP-2683698-B1 BENZYL-OXATHIAZINE DERIVATES SUBSTITUTED WITH ADAMANTANE OR NORADAMANTANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI SA (FR) 2017-10-04 EP disclosed
EP-2897939-B1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES FOR TREATING METABOLIC OR CARDIOVASCULAR DISEASES SANOFI SA (FR) 2017-02-01 EP disclosed
EP-2203415-B1 (CYCLOPROPYL-PHENYL)-PHENYL-OXALAMIDES, METHOD FOR THEIR MANUFACTURE AND THEIR APPLICATION AS MEDICINES SANOFI SA (FR) 2016-10-26 EP disclosed
EP-2203416-B1 (CARBOXY ALKYLENE-PHENYL)-PHENYL-OXALAMIDES, METHOD FOR THEIR MANUFACTURE AND THEIR APPLICATION AS MEDICINES SANOFI SA (FR) 2016-10-26 EP disclosed
EP-2144885-B1 IMIDAZOLIDINE CARBOXAMIDE DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS SANOFI SA (FR) 2016-06-29 EP disclosed
EP-2144891-B1 5-OXO-ISOXAZOLES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES SANOFI SA (FR) 2016-06-15 EP disclosed
EP-2766349-B1 OXATHIAZINE DERIVATIVES SUBSTITUTED WITH CARBOCYCLES OR HETEROCYCLES, METHOD FOR PRODUCING SAME, DRUGS CONTAINING SAID COMPOUNDS, AND USE THEREOF SANOFI SA (FR) 2016-06-01 EP disclosed
EP-2897939-A1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES AS APJ RECEPTOR MODULATORS SANOFI (FR) 2015-07-29 EP disclosed
EP-2683699-B1 DI- AND TRI-SUBSTITUTED OXATHIAZINE DERIVATES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND USE THEREOF SANOFI SA (FR) 2015-06-24 EP disclosed
WO-2004007455-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-22 WO disclosed
WO-2004007437-A1 UREA-SUBSTITUTED AND URETHANE-SUBSTITUTED ACYLUREAS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-22 WO disclosed
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
US-20030176475-A1 Therapeutically useful new salts of cck inhibitors, process for the preparation thereof and pharmaceutical preparations containing them SANOFI-SYNTHELABO (FR) 2003-09-18 US disclosed
CN-1420885-A Novel salts of CCK inhibitors for therapy, method for the production thereof and pharmaceutical preparations containing the same SANOFI SYNTHELABO (FR) 2003-05-28 CN disclosed
WO-2003018024-A1 COMBINED PREPARATIONS, CONTAINING 1,4-BENZOTHIEPINE-1,1-DIOXIDE DERIVATIVES AND OTHER ACTIVE SUBSTANCES, AND THE USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-03-06 WO disclosed
EP-1274707-A1 THERAPEUTICALLY USEFUL NEW SALTS OF CCK INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2003-01-15 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed
US-6380230-B1 FOR THERAPY OF DYSKINESIA, OBESITY, IRRITABLE BOWEL SYNDROME, DISEASES WHOSE TREATMENT REQUIRES STIMULATION OF THE CHOLECYSTOKININ CCK-A RECEPTORS SANOFI-SYNTHELABO (FR) 2002-04-30 US disclosed
WO-2001077108-A1 THERAPEUTICALLY USEFUL NEW SALTS OF CCK INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-10-18 WO disclosed