SCHEMBL4723713

SCHEMBL4723713

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.53
CDK2 P24941 3/20 0.36
CDK6 Q00534 3/20 0.36
CCNT1 O60563 2/20 0.36
CCNA2 P20248 2/20 0.36
CCND3 P30281 2/20 0.36
CDK7 P50613 2/20 0.36
CDK9 P50750 2/20 0.36
CCNH P51946 2/20 0.36
MNAT1 P51948 2/20 0.36
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
ACACB O00763 4/20 0.36
FLT3 P36888 3/20 0.35
USP30 Q70CQ3 1/20 0.35

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 0.91 GPR119 (0.58) GPR119CDK2CDK6ACACBFLT3
SCHEMBL4723151 0.89 GPR119 (0.44) GPR119CDK2CDK6CCNT1CCNA2
SCHEMBL390621 0.88 GPR119 (0.68) GPR119
SCHEMBL4765631 0.88 GPR119 (0.56) GPR119CDK2CDK6ACACBFLT3
SCHEMBL4721951 0.88 GPR119 (0.58) GPR119CDK2CCNA2CDK5CDK5R1
SCHEMBL4723434 0.87 GPR119 (0.55) GPR119CDK2CDK6ACACBFLT3
SCHEMBL4718867 0.86 GPR119 (0.54) GPR119CDK2CDK6ACACBFLT3
SCHEMBL4718845 0.85 GPR119 (0.63) GPR119CDK2CDK6CCNA2CDK5
SCHEMBL3173166 0.85 GPR119 (0.54) GPR119
SCHEMBL4721558 0.85 GPR119 (0.53) GPR119CDK2CDK6ACACBFLT3

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