SCHEMBL4718690

SCHEMBL4718690

CN(CC1CCN(OC(=O)OC(C)(C)C)CC1)c1cc(Nc2ccc(CCS(C)(=O)=O)cc2)ncn1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 2/20 0.38
GPR119 Q8TDV5 7/20 0.37
S1PR1 P21453 5/20 0.36
FGFR3 P22607 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.34
ACACB O00763 2/20 0.34

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 0.90 GPR119 (0.46) TBK1GPR119S1PR1
SCHEMBL389313 0.89 GPR119 (0.48) TBK1GPR119
SCHEMBL4721660 0.87 GPR119 (0.40) TBK1GPR119S1PR1FGFR3CYP3A4
SCHEMBL4721883 0.87 CDK1 (0.40) TBK1GPR119S1PR1FGFR3CYP3A4
SCHEMBL4719878 0.86 TNNI3K (0.41) TBK1GPR119S1PR1
SCHEMBL4722994 0.85 GPR119 (0.39) TBK1GPR119S1PR1FGFR3CYP3A4
SCHEMBL4723148 0.85 GPR119 (0.41) TBK1GPR119S1PR1FGFR3CYP3A4
SCHEMBL4720368 0.85 S1PR1 (0.39) TBK1GPR119S1PR1FGFR3CYP3A4
SCHEMBL4720626 0.85 S1PR1 (0.42) TBK1GPR119S1PR1FGFR3CYP3A4
SCHEMBL4721012 0.84 TBK1 (0.38) TBK1GPR119S1PR1FGFR3CYP3A4

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