SCHEMBL8685016

SCHEMBL8685016

COC(=O)c1cc(Cl)c(NC(C)=O)c2c1OC(C)(C)C2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 10/20 0.38
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ALOX5 P09917 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL8132698 0.88 MAPK1 (0.36) PTGESMAPK1KDM4EALDH1A1NPSR1
SCHEMBL7325188 0.86 KDM4E (0.34) PTGESMAPK1KDM4EALDH1A1NPSR1
SCHEMBL6600592 0.78 HTR4 (0.38) MAPK1KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL4242110 0.77 NPSR1 (0.39) PTGESMAPK1ALDH1A1ALOX5NPSR1
SCHEMBL8131719 0.76 SMN1; SMN2 (0.40) KDM4EALDH1A1NPSR1PKMSMN1; SMN2
SCHEMBL8690082 0.76 KDM4E (0.37) MAPK1KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL506259 0.76 ALDH1A1 (0.40) MAPK1KDM4EALDH1A1NPSR1SMN1; SMN2
SCHEMBL2698798 0.75 KDM4E (0.40) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL7325147 0.75 ALDH1A1 (0.36) MAPK1KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL2699346 0.73 ALDH1A1 (0.41) KDM4EALDH1A1GAATP53MAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739134-A TREATMENT OF GASTROINTESTINAL DISORDERS, DECREASED PERISTALSIS JANSSEN PHARMACETUICA N.V. (BE) 1998-04-14 US disclosed
US-5616738-A A 7-CARBOXYBENZOFURAN INTERMEDIATE FOR DRUGS HAVING GASTROINTESTINAL MOTILITY STIMULATING PROPERTIES JANSSEN PHARMACEUTICA N.V. (BE) 1997-04-01 US disclosed
US-5616583-A GASTROINTESTINAL MOTILITY JANSSEN PHARMACEUTICA N.V. (BE) 1997-04-01 US disclosed
US-5610157-A N-(3-hydroxy-4-piperidinyl) (dihydrobenzofuran, dihydro-2H-benzopyran or dihydrobenzo-dioxin) carboxamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-11 US disclosed
US-5602129-A GASTROINTESTINAL DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1997-02-11 US disclosed
US-5576448-A GASTROINTESTINAL DISORDERS, ANTIEMETICS, ANTIPSYCHOTICS OR NEUROLEPTIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1996-11-19 US disclosed
US-5554772-A CHEMICAL INTERMEDIATES; GASTROINTESTINAL DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-10 US disclosed
US-5552553-A CHEMICAL INTERMEDIATES FOR LAXATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-03 US disclosed
US-5536733-A GASTROINTESTINAL JANSSEN PHARMACEUTICA N.V. (BE) 1996-07-16 US disclosed
US-5521314-A CHEMICAL INTERMEDIATES FOR CENTRAL NERVOUS SYSTEM, ANTIEMETICS, ANTIPSYCHOTIC AGENTS OR NEUROLEPTIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1996-05-28 US disclosed
EP-0389037-B1 N-(3-hydroxy-4-piperidinyl)(dihydrobenzofuran, dihydro-2H-benzopyran or dihydrobenzodioxin)carboxamide derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-09-20 EP disclosed
US-5374637-A Stimulate gastrointestinal motility JANSSEN PHARMACEUTICA N.V. (BE) 1994-12-20 US disclosed
EP-0389037-A1 N-(3-hydroxy-4-piperidinyl)(dihydrobenzofuran, dihydro-2H-benzopyran or dihydrobenzodioxin)carboxamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-09-26 EP disclosed