SCHEMBL2597413

SCHEMBL2597413

CSc1cnc(N2CCC(N3CCCC3=O)[C@H](Nc3ccc(S(C)(=O)=O)cc3F)C2)nc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.41
KCNH2 Q12809 2/20 0.37
CYP3A4 P08684 1/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 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
SCHEMBL2597062 0.82 SLC6A9 (0.38) GPR119KCNH2CCNA2CDK2CDK5
SCHEMBL2597224 0.81 DPP4 (0.37) GPR119KCNH2CCNA2CDK2CDK5
SCHEMBL15022719 0.76 GPR119 (0.45) GPR119KCNH2CYP3A4
SCHEMBL2597412 0.76 GPR119 (0.45) GPR119KCNH2CYP3A4
SCHEMBL789216 0.75 SLC6A9 (0.34) GPR119CCNA2CDK2CDK5CDK5R1
SCHEMBL2597109 0.72 SLC6A9 (0.37) GPR119CCNA2CDK2CDK5CDK5R1
SCHEMBL15023424 0.68 GPR119 (0.46) GPR119KCNH2CYP3A4
SCHEMBL790391 0.67 BRD4 (0.33) GPR119CDK2
SCHEMBL15022657 0.67 GPR119 (0.50) GPR119KCNH2
SCHEMBL15023116 0.67 GPR119 (0.54) GPR119

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571864-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS Array Biopharma, Inc. (US) 2013-03-27 EP disclosed
WO-2011146335-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2011-11-24 WO disclosed