SCHEMBL21534701

SCHEMBL21534701

C=C(N)C1CCCCN1C(=O)c1ccc(-c2ncc(OCC3CCN(CC(F)(CC)CC)CC3)cn2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.39
PARP10 Q53GL7 2/20 0.37
PARP15 Q460N3 1/20 0.36
PIK3CA P42336 5/20 0.34
MTOR P42345 5/20 0.34
CNR2 P34972 4/20 0.34
SSTR5 P35346 1/20 0.33
KCNH2 Q12809 1/20 0.33
MET P08581 2/20 0.33
CPT1A P50416 1/20 0.33
GRM5 P41594 1/20 0.32

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
SCHEMBL15538847 0.94 GPR119 (0.39) GPR119PARP10PARP15PIK3CAMTOR
SCHEMBL15538849 0.94 GPR119 (0.39) GPR119PARP10PARP15PIK3CAMTOR
SCHEMBL15539044 0.92 GPR119 (0.40) GPR119PARP10PARP15PIK3CAMTOR
SCHEMBL15539054 0.92 GPR119 (0.40) GPR119PARP10PARP15PIK3CAMTOR
SCHEMBL15539004 0.87 CNR2 (0.40) GPR119PARP10PARP15CNR2MET
SCHEMBL15538994 0.87 CNR2 (0.40) GPR119PARP10PARP15CNR2MET
SCHEMBL15538856 0.84 GPR119 (0.41) GPR119PARP10PARP15PIK3CACNR2
SCHEMBL15539531 0.84 GPR119 (0.41) GPR119PARP10PARP15PIK3CACNR2
SCHEMBL16757768 0.84 CNR2 (0.39) GPR119PARP10PARP15PIK3CAMTOR
SCHEMBL16757764 0.84 CNR2 (0.39) GPR119PARP10PARP15PIK3CAMTOR

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-2858986-B1 PIPERIDINE DERIVATIVES AS GPR119 AGONISTS CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2019-10-30 EP disclosed