SCHEMBL4723697

SCHEMBL4723697

CCN(CC1CCN(OC(=O)OC(C)(C)C)CC1)c1cc(Nc2cc(F)c(OC)cc2F)ncn1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.35
FGFR1 P11362 5/20 0.33
FGFR4 P22455 3/20 0.33
FGFR3 P22607 2/20 0.33
ABL1 P00519 1/20 0.33
PTK6 Q13882 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GPR119 Q8TDV5 3/20 0.33
SCN9A Q15858 2/20 0.32
EGFR P00533 2/20 0.32
FLT1 P17948 2/20 0.32
FLT4 P35916 2/20 0.32
KDR P35968 2/20 0.32
TBK1 Q9UHD2 1/20 0.31
PIK3CA P42336 1/20 0.31
PRKDC P78527 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL4720553 0.93 S1PR1 (0.37) S1PR1GPR119KDRTBK1
SCHEMBL4719712 0.91 S1PR1 (0.36) S1PR1GPR119EGFRKDRTBK1
SCHEMBL389745 0.89 SCN9A (0.43) CYP3A4CYP2C9GPR119SCN9ATBK1
SCHEMBL4723222 0.89 GPR119 (0.38) S1PR1CYP3A4CYP2C9GPR119
SCHEMBL27755095 0.85 GPR119 (0.37) S1PR1FGFR1FGFR4FGFR3CYP3A4
SCHEMBL4723218 0.84 GPR119 (0.46) CYP3A4CYP2C9GPR119
SCHEMBL4720580 0.82 TBK1 (0.37) S1PR1ABL1PTK6GPR119EGFR
SCHEMBL388861 0.81 GPR119 (0.45) CYP3A4CYP2C9GPR119SCN9ATBK1
SCHEMBL386351 0.80 GPR119 (0.43) CYP3A4CYP2C9GPR119SCN9ATBK1
SCHEMBL4723661 0.80 GPR119 (0.38) CYP3A4CYP2C9GPR119TBK1

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