SCHEMBL470905

SCHEMBL470905

C[C@H](Oc1cnc(N2C[C@H](NCl)[C@@H](c3cc(F)c(F)cc3F)C2)nc1)C1CCN(c2nc([C@](C)(O)C3CC3)no2)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.33
KCNH2 Q12809 4/20 0.33
EGFR P00533 1/20 0.33
KCNE1 P15382 1/20 0.33
ALOX5AP P20292 3/20 0.32
DPP4 P27487 3/20 0.31
DPP8 Q6V1X1 2/20 0.31
DPP7 Q9UHL4 2/20 0.31
DPP9 Q86TI2 1/20 0.31
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL470918 0.94 GPR119 (0.33) GPR119KCNH2EGFRKCNE1ALOX5AP
SCHEMBL470798 0.89 DPP4 (0.32) GPR119KCNH2EGFRKCNE1ALOX5AP
SCHEMBL461358 0.89 DPP4 (0.40) KCNH2ALOX5APDPP4DPP8DPP7
SCHEMBL12064555 0.86 GPR119 (0.35) GPR119KCNH2DPP4DPP8DPP7
SCHEMBL12064798 0.86 GPR119 (0.40) GPR119KCNH2DPP4
SCHEMBL470589 0.83 DPP4 (0.42) KCNH2DPP4DPP8DPP7DPP9
SCHEMBL12064745 0.82 NTRK1 (0.34) GPR119KCNH2EGFRKCNE1ALOX5AP
SCHEMBL470685 0.80 DPP4 (0.40) KCNH2DPP4DPP8DPP7DPP9
SCHEMBL12064985 0.78 DPP4 (0.33) KCNH2DPP4DPP8DPP7DPP9
SCHEMBL470662 0.78 GPR119 (0.33) GPR119KCNH2DPP4DPP8DPP7

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
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed