SCHEMBL6597265

SCHEMBL6597265

CN(CC(CCN1CCCN(c2nc3ccccc3n2CCOC(F)(F)F)CC1)c1cccc(Cl)c1)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 13/20 0.49

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
SCHEMBL6600017 0.93 TACR2 (0.46) TACR2
SCHEMBL6596833 0.92 TACR2 (0.48) TACR2
SCHEMBL6599446 0.92 TACR2 (0.60) TACR2
SCHEMBL6595980 0.92 TACR2 (0.40) TACR2
SCHEMBL6596220 0.91 TACR2 (0.51) TACR2
SCHEMBL6595777 0.91 TACR2 (0.51) TACR2
SCHEMBL6596664 0.89 TACR2 (0.46) TACR2
SCHEMBL6596822 0.88 TACR2 (0.51) TACR2
SCHEMBL6595983 0.88 TACR2 (0.57) TACR2
SCHEMBL6595715 0.87 TACR2 (0.51) 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 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