SCHEMBL6597352

SCHEMBL6597352

CN(CC(CCN1CCCN(c2nc3ccccc3n2CCOCC(F)(F)F)CC1)c1ccc(F)c(F)c1)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 7/20 0.47
TACR1 P25103 1/20 0.42

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
SCHEMBL6596392 0.93 TACR2 (0.49) TACR2
SCHEMBL6593710 0.93 TACR2 (0.47) TACR2TACR1
SCHEMBL6597468 0.93 TACR2 (0.45) TACR2
SCHEMBL6596982 0.93 TACR2 (0.45) TACR2
SCHEMBL6594880 0.92 TACR2 (0.48) TACR2TACR1
SCHEMBL6596964 0.92 TACR2 (0.39) TACR2
SCHEMBL6596833 0.92 TACR2 (0.48) TACR2TACR1
SCHEMBL6595375 0.92 TACR2 (0.59) TACR2TACR1
SCHEMBL6596308 0.91 TACR2 (0.46) TACR2TACR1
SCHEMBL6595647 0.90 LMNA (0.44) 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 2 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