SCHEMBL4723148

SCHEMBL4723148

CN(CC1CCN(OC(=O)OC(C)(C)C)CC1)c1cc(Nc2ccc(S(C)(=O)=O)nc2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.41
TBK1 Q9UHD2 2/20 0.37
S1PR1 P21453 3/20 0.36
ACACB O00763 2/20 0.34
SYK P43405 1/20 0.34
FGFR3 P22607 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL4721914 0.91 GPR119 (0.46) GPR119TBK1S1PR1
SCHEMBL386560 0.89 GPR119 (0.52) GPR119TBK1CYP3A4
SCHEMBL4719368 0.88 TBK1 (0.38) GPR119TBK1S1PR1ACACBSYK
SCHEMBL4722459 0.88 TBK1 (0.38) GPR119TBK1S1PR1ACACBSYK
SCHEMBL4721660 0.86 GPR119 (0.40) GPR119TBK1S1PR1ACACBFGFR3
SCHEMBL4721883 0.86 CDK1 (0.40) GPR119TBK1S1PR1ACACBFGFR3
SCHEMBL4718690 0.85 TBK1 (0.38) GPR119TBK1S1PR1ACACBFGFR3
SCHEMBL4719878 0.85 TNNI3K (0.41) GPR119TBK1S1PR1
SCHEMBL4722994 0.85 GPR119 (0.39) GPR119TBK1S1PR1ACACBFGFR3
SCHEMBL4719783 0.84 TBK1 (0.39) GPR119TBK1S1PR1ACACBFGFR3

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-1756084-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2008-11-26 EP claimed