SCHEMBL4721992

SCHEMBL4721992

CC(C)OC(=O)ON1CCC(Oc2cc(Nc3ccc(C4CCCN4C)cn3)ncn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.43
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
ACACB O00763 2/20 0.38
MELK Q14680 3/20 0.38
FLT3 P36888 3/20 0.37
CDK2 P24941 3/20 0.37
CDK6 Q00534 1/20 0.37
CCNE1 P24864 2/20 0.37
HSF1 Q00613 2/20 0.37

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
SCHEMBL388106 0.89 GPR119 (0.55) GPR119CDK4CCND1
SCHEMBL4722133 0.83 GPR119 (0.46) GPR119FLT3CDK2CDK6CCNE1
SCHEMBL4719015 0.83 GPR119 (0.46) GPR119ACACBFLT3CDK2CDK6
SCHEMBL4723727 0.82 GPR119 (0.47) GPR119ACACB
SCHEMBL4723387 0.78 GPR119 (0.49) GPR119ACACBFLT3CDK2CDK6
SCHEMBL4723272 0.77 GPR119 (0.46) GPR119ACACBFLT3CDK2CDK6
SCHEMBL4723183 0.77 GPR119 (0.46) GPR119ACACBFLT3CDK2CDK6
SCHEMBL4721651 0.76 GPR119 (0.60) GPR119FLT3CDK2CDK6
SCHEMBL4765476 0.76 GPR119 (0.47) GPR119ACACB
SCHEMBL4721011 0.76 FLT3 (0.49) 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