SCHEMBL6597166

SCHEMBL6597166

COc1ccc(C(CCN2CCCN(c3nc4ccccc4n3CCS(C)(=O)=O)CC2)CN(C)C(=O)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TACR2 P21452 9/20 0.46
ALDH1A1 P00352 1/20 0.46
TACR1 P25103 1/20 0.40

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
SCHEMBL6595763 0.93 LMNA (0.45) LMNAMAPTTSHRTDP1TACR2
SCHEMBL6598099 0.90 LMNA (0.49) LMNAMAPTTSHRTDP1TACR2
SCHEMBL6593467 0.90 LMNA (0.48) LMNAMAPTTSHRTDP1TACR2
SCHEMBL6597393 0.90 LMNA (0.48) LMNAMAPTTSHRTDP1TACR2
SCHEMBL6595755 0.90 MAPT (0.47) LMNAMAPTTSHRTDP1TACR2
SCHEMBL6597238 0.89 LMNA (0.46) LMNAMAPTTSHRTDP1TACR2
SCHEMBL6594461 0.89 TACR2 (0.41) LMNAMAPTTACR2ALDH1A1TACR1
SCHEMBL6595217 0.88 TACR2 (0.63) TACR2TACR1
SCHEMBL6595639 0.87 TACR2 (0.47) TACR2
SCHEMBL6599128 0.87 TACR2 (0.51) 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