SCHEMBL4765631

SCHEMBL4765631

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.56
FLT3 P36888 3/20 0.37
CDK2 P24941 1/20 0.37
CDK6 Q00534 1/20 0.37
ACACB O00763 2/20 0.36
SCN9A Q15858 1/20 0.35
CYP2C9 P11712 3/20 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
SCHEMBL4720782 0.94 GPR119 (0.58) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4723434 0.90 GPR119 (0.55) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4718867 0.89 GPR119 (0.54) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4718845 0.89 GPR119 (0.63) GPR119FLT3CDK2CDK6ACACB
SCHEMBL390051 0.89 GPR119 (0.71) GPR119CYP2C9
SCHEMBL4721558 0.88 GPR119 (0.53) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4723713 0.88 GPR119 (0.53) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4721156 0.88 GPR119 (0.46) GPR119FLT3CDK2CDK6SCN9A
SCHEMBL4719083 0.88 GPR119 (0.56) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4722059 0.88 GPR119 (0.53) GPR119FLT3CDK2CDK6ACACB

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