SCHEMBL873647

SCHEMBL873647

NCCCCC(N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 6/20 0.49
DPP4 P27487 5/20 0.49
DPP7 Q9UHL4 5/20 0.49
DPP9 Q86TI2 2/20 0.46
FAP Q12884 1/20 0.44
OPRM1 P35372 1/20 0.40
ACE P12821 1/20 0.40
KCNH2 Q12809 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
F2 P00734 3/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
NTSR2 O95665 2/20 0.37
NTSR1 P30989 2/20 0.37
SORT1 Q99523 2/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL845158 0.85 F2 (0.49) DPP8DPP4DPP7ACEKCNH2
SCHEMBL9488598 0.80 DPP8 (0.51) DPP8DPP4DPP7DPP9FAP
SCHEMBL873575 0.79 F2 (0.45) DPP8DPP4DPP7ACECYP2C9
SCHEMBL9490722 0.79 DPP8 (0.54) DPP8DPP4DPP7DPP9FAP
SCHEMBL844890 0.75 KCNH2 (0.51) KCNH2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL10119517 0.74 ALDH1A1 (0.51) CYP2C9CYP2C19HTTALDH1A1MAPK1
SCHEMBL845519 0.74 ALDH1A1 (0.46) CYP2C9CYP2C19F2HTTALDH1A1
SCHEMBL9614454 0.72 KDM4E (0.53) DPP8DPP4DPP7DPP9FAP
SCHEMBL29385022 0.72 KDM4E (0.53) DPP8DPP4DPP7DPP9FAP
SCHEMBL9489209 0.71 ALDH1A1 (0.48) DPP8DPP4DPP7DPP9FAP

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
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed