SCHEMBL4719878

SCHEMBL4719878

CNS(=O)(=O)c1ccc(Nc2cc(N(C)CC3CCN(OC(=O)OC(C)(C)C)CC3)ncn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 15/20 0.41
GPR119 Q8TDV5 2/20 0.40
LIMK2 P53671 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
EGFR P00533 2/20 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
SCHEMBL4721914 0.93 GPR119 (0.46) GPR119TBK1S1PR1
SCHEMBL4720626 0.92 S1PR1 (0.42) TNNI3KGPR119LIMK2TBK1S1PR1
SCHEMBL4721660 0.91 GPR119 (0.40) GPR119LIMK2TBK1S1PR1
SCHEMBL4721883 0.91 CDK1 (0.40) GPR119LIMK2TBK1S1PR1S1PR3
SCHEMBL4722994 0.90 GPR119 (0.39) TNNI3KGPR119LIMK2TBK1S1PR1
SCHEMBL389589 0.89 GPR119 (0.51) GPR119LIMK2TBK1
SCHEMBL4723270 0.88 LCK (0.40) GPR119
SCHEMBL4718690 0.86 TBK1 (0.38) GPR119TBK1S1PR1
SCHEMBL27939280 0.85 GPR119 (0.44) TNNI3KGPR119TBK1S1PR1
SCHEMBL4723148 0.85 GPR119 (0.41) GPR119TBK1S1PR1

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