SCHEMBL6599088

SCHEMBL6599088

CN(CC(CCN1CCCN(c2nc3ccccc3n2Cc2ccco2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.52
TACR1 P25103 1/20 0.46

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
SCHEMBL6599798 0.94 TACR2 (0.55) TACR2TACR1
SCHEMBL6599801 0.94 TACR2 (0.60) TACR2TACR1
SCHEMBL6597303 0.93 TACR2 (0.54) TACR2TACR1
SCHEMBL6595893 0.91 TACR2 (0.50) TACR2TACR1
SCHEMBL6604395 0.91 TACR2 (0.52) TACR2TACR1
SCHEMBL6594052 0.88 TACR2 (0.49) TACR2TACR1
SCHEMBL6596274 0.88 TACR2 (0.55) TACR2TACR1
SCHEMBL6599027 0.87 TACR2 (0.54) TACR2TACR1
SCHEMBL6597730 0.87 TACR2 (0.49) TACR2TACR1
SCHEMBL6594894 0.86 TACR2 (0.49) 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