SCHEMBL1027797

SCHEMBL1027797

CCN(CCNC(=O)CN(CC(=O)N(C)N1Cc2ccc(F)cc2C1)c1cc2c(cc1C)CCC2=O)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AHCY P23526 11/20 0.45
GPR119 Q8TDV5 2/20 0.33
PARP1 P09874 1/20 0.33
NAMPT P43490 5/20 0.33
KCNH2 Q12809 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL1026232 0.85 AHCY (0.45) AHCYGPR119PARP1NAMPTKCNH2
SCHEMBL11975701 0.85 AHCY (0.48) AHCYNAMPT
Hydrochloric Acid SCHEMBL1026455 0.84 AHCY (0.49) AHCYNAMPT
SCHEMBL11903758 0.84 AHCY (0.45) AHCYPARP1NAMPTKCNH2TMEM97
SCHEMBL11904106 0.84 AHCY (0.45) AHCYPARP1NAMPTKCNH2TMEM97
SCHEMBL11974073 0.84 AHCY (0.40) AHCYNAMPT
SCHEMBL1197343 0.83 GPR119 (0.33) AHCYGPR119NAMPTKCNH2TMEM97
SCHEMBL11975712 0.82 AHCY (0.48) AHCYNAMPT
SCHEMBL11975175 0.81 AHCY (0.47) AHCYNAMPT
SCHEMBL11983479 0.81 DPP9 (0.35) AHCYNAMPT

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