SCHEMBL4718845

SCHEMBL4718845

CC(C)OC(=O)ON1CCC(Oc2cc(Nc3ccc(F)cc3F)ncn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.63
ACACB O00763 3/20 0.39
FLT3 P36888 3/20 0.39
CDK2 P24941 3/20 0.39
CDK6 Q00534 1/20 0.39
CDK4 P11802 1/20 0.38
CYP2C9 P11712 2/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36

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
SCHEMBL4719083 0.94 GPR119 (0.56) GPR119ACACBFLT3CDK2CDK6
SCHEMBL4720557 0.92 GPR119 (0.61) GPR119ACACBFLT3CDK2CDK6
SCHEMBL4720782 0.91 GPR119 (0.58) GPR119ACACBFLT3CDK2CDK6
SCHEMBL4722205 0.91 GPR119 (0.59) GPR119ACACBFLT3CDK2CDK6
SCHEMBL4719427 0.91 GPR119 (0.59) GPR119ACACBFLT3CDK2CDK6
SCHEMBL4721951 0.90 GPR119 (0.58) GPR119CDK2CCNA2CDK5CDK5R1
SCHEMBL4719718 0.90 GPR119 (0.79) GPR119CYP2C9
SCHEMBL4721017 0.89 GPR119 (0.58) GPR119ACACBFLT3CDK2CDK6
SCHEMBL4719558 0.89 GPR119 (0.57) GPR119ACACBFLT3CDK2CDK6
SCHEMBL4765631 0.89 GPR119 (0.56) GPR119ACACBFLT3CDK2CDK6

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