SCHEMBL4723209

SCHEMBL4723209

CC(C)OC(=O)ON1CCC(Oc2cc(Nc3ccc(Br)cc3OC(F)(F)F)ncn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.49
FLT3 P36888 3/20 0.35
CDK2 P24941 1/20 0.35
CDK6 Q00534 1/20 0.35
SCN9A Q15858 3/20 0.35
ACACB O00763 3/20 0.35
KDR P35968 2/20 0.34
CYP2C9 P11712 1/20 0.33
EGFR P00533 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 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
SCHEMBL4719890 0.91 GPR119 (0.49) GPR119FLT3CDK2CDK6SCN9A
SCHEMBL391663 0.89 GPR119 (0.63) GPR119CYP2C9
SCHEMBL4724419 0.82 GPR119 (0.51) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4718845 0.82 GPR119 (0.63) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4765631 0.81 GPR119 (0.56) GPR119FLT3CDK2CDK6SCN9A
SCHEMBL4721070 0.81 KDR (0.49) GPR119SCN9AACACBKDR
SCHEMBL4720782 0.80 GPR119 (0.58) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4720557 0.80 GPR119 (0.61) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4719083 0.80 GPR119 (0.56) GPR119FLT3CDK2CDK6SCN9A
SCHEMBL4723636 0.80 GPR119 (0.62) 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