SCHEMBL7876971

SCHEMBL7876971

[CH2]C(=O)NC1CCCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.64
NPC1 O15118 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
RAB9A P51151 3/20 0.64
ALDH1A1 P00352 2/20 0.64
CYP3A4 P08684 2/20 0.64
MAPT P10636 1/20 0.64
KDM4E B2RXH2 1/20 0.64
EPHX2 P34913 1/20 0.64
MMP2 P08253 3/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
MMP8 P22894 1/20 0.52
MMP1 P03956 1/20 0.52
MMP3 P08254 1/20 0.52
MAPK1 P28482 1/20 0.52
DUSP3 P51452 1/20 0.52
PTPN5 P54829 1/20 0.52

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
SCHEMBL427553 1.00 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL429506 0.97
SCHEMBL425451 0.92
SCHEMBL423969 0.86
SCHEMBL24308701 0.78 EPHX1 (1.00) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL24308699 0.78 EPHX1 (1.00) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL3076504 0.78 NPC1 (1.00) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL23960132 0.78 EPHX1 (1.00) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL23736058 0.78 NPC1 (1.00) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL12196125 0.78 EPHX1 (1.00) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP claimed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO claimed
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5877321-A NEUROKININ RECEPTOR SANOFI (FR) 1999-03-02 US disclosed
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
US-5773620-A Quaternary ammonium salts of aromatic amine compounds, their preparation and pharmaceutical compositions in which they are present ELF SANOFI (FR) 1998-06-30 US disclosed
US-5770735-A Polycyclic amine compounds and their enantiomers, their method of preparation and pharmaceutical compositions in which they are present ELF SANOFI (FR) 1998-06-23 US disclosed
US-5686609-A Aromatic amine compounds, Their method of preparation and pharmaceutical compositions in which they are present SANOFI (FR) 1997-11-11 US disclosed
US-5679693-A TREATMENT OF PATHOLOGICAL CONDITIONS INVOLVING THE TACHYKININ SYSTEM SANOFI (FR) 1997-10-21 US disclosed
US-5317020-A Neurokinin receiver antagonist as antiinflammatory agents SANOFI (FR) 1994-05-31 US disclosed
US-5300648-A Analgesics, antiinflammatory agents SOCIETE ANONYME: ELF SANOFI (FR) 1994-04-05 US disclosed
US-5254595-A Aryloxypropanolaminotetralins, a process for their preparation and pharmaceutical compositions containing them ELF SANOFI (FR) 1993-10-19 US disclosed
US-5236921-A Administrering for treatment of neutrogenic inflammation of the respiratory trart SANOFI (FR) 1993-08-17 US disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed
EP-0200915-B1 AMINOPROPANOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1989-09-27 EP disclosed
US-4863949-A CARDIOVASCULAR DISORDER TREATMENT BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 US disclosed
EP-0280951-A1 Amino-propanol derivatives, process for their preparation and medicines containing these compounds, as well as intermediates Roche Diagnostics GmbH (DE) 1988-09-07 EP disclosed
EP-0200915-A1 Aminopropanol derivatives, process for their preparation, their use and medicines containing them Roche Diagnostics GmbH (DE) 1986-11-12 EP disclosed