SCHEMBL6598002

SCHEMBL6598002

CN(CC(CCN1CCCN(c2nc3ccccc3[nH]2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 20/20 0.62
TACR1 P25103 1/20 0.51

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
SCHEMBL6596740 0.93 TACR2 (0.65) TACR2TACR1
SCHEMBL6597490 0.93 TACR2 (0.71) TACR2TACR1
SCHEMBL6592436 0.92 TACR2 (0.65) TACR2TACR1
SCHEMBL6599000 0.90 TACR2 (0.60) TACR2TACR1
SCHEMBL6597354 0.86 TACR2 (0.59) TACR2TACR1
SCHEMBL6595207 0.85 TACR2 (0.59) TACR2TACR1
SCHEMBL6596487 0.84 TACR2 (0.59) TACR2TACR1
SCHEMBL6597973 0.84 TACR2 (0.58) TACR2TACR1
SCHEMBL6595436 0.84 TACR2 (0.57) TACR2TACR1
SCHEMBL6597502 0.83 TACR2 (0.57) 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 1 patent. 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