SCHEMBL6595647

SCHEMBL6595647

COc1ccc(C(CCN2CCCN(c3nc4ccccc4n3CCOCC(F)(F)F)CC2)CN(C)C(=O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TACR2 P21452 2/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL6596982 0.95 TACR2 (0.45) TACR2
SCHEMBL6597468 0.93 TACR2 (0.45) TACR2
SCHEMBL6594639 0.93 TACR2 (0.44) LMNAMAPTTSHRTDP1TACR2
SCHEMBL6594880 0.93 TACR2 (0.48) TACR2
SCHEMBL6593467 0.93 LMNA (0.48) LMNAMAPTTSHRTDP1TACR2
SCHEMBL6595023 0.93 LMNA (0.41) LMNAMAPTTSHRTDP1TACR2
SCHEMBL6593710 0.92 TACR2 (0.47) TACR2
SCHEMBL6599599 0.92 TACR2 (0.43) TACR2
SCHEMBL6596308 0.92 TACR2 (0.46) TACR2
SCHEMBL6597352 0.90 TACR2 (0.47) 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