SCHEMBL4723391

SCHEMBL4723391

CC(CNc1cc(N(C)CC2CCN(OC(=O)OC(C)(C)C)CC2)ncn1)Oc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.39
KCNH2 Q12809 1/20 0.37
TBK1 Q9UHD2 2/20 0.34
GPR119 Q8TDV5 2/20 0.33
SSTR4 P31391 1/20 0.31
PRCP P42785 1/20 0.31
ABL1 P00519 2/20 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
SCHEMBL391175 0.89 GPR119 (0.42) ACACBKCNH2TBK1GPR119
SCHEMBL28781409 0.85 ACACB (0.41) ACACBKCNH2TBK1
SCHEMBL4721984 0.82 HTR2C (0.40) ACACBTBK1GPR119PRCP
SCHEMBL4719875 0.81 MKNK1 (0.39) ACACBTBK1GPR119
SCHEMBL4723296 0.81 TBK1 (0.39) ACACBTBK1GPR119
SCHEMBL4763290 0.81 TBK1 (0.40) ACACBTBK1GPR119
SCHEMBL4719868 0.80 SSTR4 (0.35) ACACBTBK1GPR119SSTR4
SCHEMBL4723287 0.79 TBK1 (0.39) ACACBTBK1GPR119
SCHEMBL4719783 0.78 TBK1 (0.39) ACACBTBK1GPR119ABL1
SCHEMBL4722370 0.78 TBK1 (0.39) ACACBTBK1GPR119

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