SCHEMBL6595439

SCHEMBL6595439

COc1cc(C(=O)N(C)CC(CCN2CCCN(c3nc4ccccc4n3CC(F)(F)F)CC2)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 19/20 0.52
TACR1 P25103 2/20 0.45

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
SCHEMBL6597147 0.93 TACR2 (0.42) TACR2
SCHEMBL6595344 0.92 TACR2 (0.54) TACR2TACR1
SCHEMBL6596863 0.92 TACR2 (0.41) TACR2TACR1
SCHEMBL6595750 0.92 TACR2 (0.49) TACR2TACR1
SCHEMBL6595577 0.92 TACR2 (0.50) TACR2TACR1
SCHEMBL6596565 0.92 LMNA (0.43) TACR2TACR1
SCHEMBL6593743 0.92 TACR2 (0.40) TACR2TACR1
SCHEMBL6596266 0.91 TACR2 (0.64) TACR2TACR1
SCHEMBL6595840 0.90 TACR2 (0.51) TACR2TACR1
SCHEMBL6594972 0.90 TACR2 (0.52) TACR2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888338-B1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2004-11-17 EP disclosed
EP-0888338-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 EP disclosed
WO-1997030991-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed