SCHEMBL4721995

SCHEMBL4721995

CC(C)OC(=O)ON1CCC(Oc2cc(Nc3cc(F)c(OCCN(C)C)cc3F)ncn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.52
CYP2C9 P11712 3/20 0.35
EGFR P00533 2/20 0.34
KDR P35968 2/20 0.34
FLT3 P36888 3/20 0.33
CDK2 P24941 2/20 0.33
CDK6 Q00534 1/20 0.33
GPR6 P46095 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
ACACB O00763 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
SCHEMBL4720606 0.92 GPR119 (0.52) GPR119CYP2C9EGFRFLT3CDK2
SCHEMBL4718867 0.91 GPR119 (0.54) GPR119CYP2C9FLT3CDK2CDK6
SCHEMBL388017 0.90 GPR119 (0.64) GPR119CYP2C9
SCHEMBL4721687 0.89 GPR119 (0.49) GPR119CYP2C9EGFRKDRFLT3
SCHEMBL4723434 0.88 GPR119 (0.55) GPR119CYP2C9FLT3CDK2CDK6
SCHEMBL4720782 0.87 GPR119 (0.58) GPR119CYP2C9FLT3CDK2CDK6
SCHEMBL4721990 0.87 GPR119 (0.48) GPR119EGFRKDR
SCHEMBL4765631 0.85 GPR119 (0.56) GPR119CYP2C9FLT3CDK2CDK6
SCHEMBL4721009 0.84 GPR119 (0.48) GPR119EGFRKDRFLT3CDK2
SCHEMBL4719555 0.84 GPR119 (0.52) GPR119FLT3CDK2CDK6GPR6

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