SCHEMBL4718809

SCHEMBL4718809

CCCNc1ccc(Nc2cc(OC3CCN(OC(=O)OC(C)C)CC3)ncn2)c(C)n1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.57
CYP2C9 P11712 3/20 0.41
KCNH2 Q12809 1/20 0.38
FLT3 P36888 2/20 0.35
CDK2 P24941 1/20 0.35
CDK6 Q00534 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
SCHEMBL388233 0.89 GPR119 (0.72) GPR119CYP2C9KCNH2
SCHEMBL4721651 0.89 GPR119 (0.60) GPR119CYP2C9KCNH2FLT3CDK2
SCHEMBL4723164 0.88 GPR119 (0.58) GPR119CYP2C9KCNH2
SCHEMBL4723636 0.88 GPR119 (0.62) GPR119CYP2C9KCNH2FLT3CDK2
SCHEMBL4720463 0.88 GPR119 (0.49) GPR119CYP2C9FLT3CDK2CDK6
SCHEMBL4719420 0.86 GPR119 (0.61) GPR119CYP2C9KCNH2FLT3CDK2
SCHEMBL4719558 0.86 GPR119 (0.57) GPR119FLT3CDK2CDK6
SCHEMBL4721558 0.85 GPR119 (0.53) GPR119FLT3CDK2CDK6
SCHEMBL4721322 0.83 GPR119 (0.58) GPR119CYP2C9KCNH2FLT3CDK2
SCHEMBL4723041 0.81 GPR119 (0.55) GPR119CYP2C9KCNH2FLT3CDK2

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