SCHEMBL1026232

SCHEMBL1026232

CCN(CCNC(=O)CN(CC(=O)N(C)N1Cc2ccc(F)cc2C1)c1cc(C#N)c(F)cc1C)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHCY P23526 11/20 0.45
NAMPT P43490 1/20 0.34
PARP1 P09874 1/20 0.33
DPP4 P27487 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
KCNH2 Q12809 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL11904106 0.90 AHCY (0.45) AHCYNAMPTPARP1KCNH2TMEM97
SCHEMBL11903758 0.90 AHCY (0.45) AHCYNAMPTPARP1KCNH2TMEM97
SCHEMBL1027797 0.85 AHCY (0.45) AHCYNAMPTPARP1GPR119KCNH2
SCHEMBL11975714 0.85 AHCY (0.48) AHCYNAMPTDPP8DPP9
Hydrochloric Acid SCHEMBL1027771 0.84 AHCY (0.49) AHCYNAMPTDPP8DPP9
SCHEMBL1197610 0.84 NAMPT (0.33) AHCYNAMPTDPP4KCNH2TMEM97
SCHEMBL11895600 0.81 AHCY (0.46) AHCYNAMPTKCNH2TMEM97SIGMAR1
SCHEMBL11896239 0.78 AHCY (0.41) AHCYNAMPTPARP1GPR119
SCHEMBL11973982 0.78 AHCY (0.56) AHCY
SCHEMBL1027953 0.78 AHCY (0.35) AHCYNAMPTPARP1

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-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed