SCHEMBL27755014

SCHEMBL27755014

CCN(CC1CCN(C(=O)O)CC1)c1cc(Nc2ccc(S(C)(=O)=O)cc2F)ncn1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.52
S1PR1 P21453 3/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42

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
SCHEMBL27662244 0.91 GPR119 (0.53) GPR119CYP3A4CYP2C9CCNA2CDK2
SCHEMBL389064 0.89 GPR119 (0.68) GPR119CYP2C9
SCHEMBL390975 0.89 CYP3A4 (0.57) GPR119CYP3A4CYP2C9
SCHEMBL4722991 0.84 GPR119 (0.54) GPR119S1PR1CYP2C9CCNA2CDK2
SCHEMBL4723218 0.84 GPR119 (0.46) GPR119CYP3A4CYP2C9CCNA2CDK2
SCHEMBL27734780 0.84 GPR119 (0.45) GPR119S1PR1CYP3A4CYP2C9CCNA2
SCHEMBL28778838 0.83 S1PR1 (0.37) GPR119S1PR1
SCHEMBL27755095 0.81 GPR119 (0.37) GPR119S1PR1CYP3A4CYP2C9
SCHEMBL27755236 0.81 GPR119 (0.47) GPR119CYP3A4CYP2C9CCNA2CDK2
SCHEMBL388776 0.80 GPR119 (0.59) GPR119CYP3A4CYP2C9

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
CN-101332303-A Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood glp-1 level ARENA PHARM INC (US) 2008-12-31 CN disclosed