SCHEMBL6597632

SCHEMBL6597632

COc1ccc(C2C=NN=N2)cc1C(=O)N(C)CC(CCN1CCCN(c2nc3ccccc3n2CCOCC(F)(F)F)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 15/20 0.41

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
SCHEMBL6596524 0.94 TACR2 (0.43) TACR2
SCHEMBL6595438 0.94 TACR2 (0.42) TACR2
SCHEMBL6597255 0.94 TACR2 (0.42) TACR2
SCHEMBL6596824 0.93 CHRM1 (0.35)
SCHEMBL6596639 0.90 TACR2 (0.43) TACR2
SCHEMBL6596775 0.89 TACR2 (0.42) TACR2
SCHEMBL7467147 0.89 HRH1 (0.44) TACR2
SCHEMBL6597576 0.89 TACR2 (0.42) TACR2
SCHEMBL6597574 0.89 TACR2 (0.42) TACR2
SCHEMBL7503211 0.89 TACR2 (0.42) TACR2

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 4 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
US-5932571-A 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) 1999-08-03 US 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