SCHEMBL20053543

SCHEMBL20053543

CCC(F)(CC)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCCC4)c(F)c3)nc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.54
CYP4F2 P78329 7/20 0.40
CYP4A11 Q02928 7/20 0.40
CPS1 P31327 1/20 0.39
HPGDS O60760 1/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
NR3C1 P04150 1/20 0.38

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
SCHEMBL15539417 0.92 GPR119 (0.51) GPR119CYP4F2CYP4A11HPGDSPIK3CA
SCHEMBL15539414 0.92 GPR119 (0.51) GPR119CYP4F2CYP4A11HPGDSPIK3CA
SCHEMBL20053576 0.92 GPR119 (0.58) GPR119CYP4F2CYP4A11CPS1PARP15
SCHEMBL15538497 0.91 GPR119 (0.54) GPR119CYP4F2CYP4A11HPGDSPIK3CA
SCHEMBL15538500 0.91 GPR119 (0.54) GPR119CYP4F2CYP4A11HPGDSPIK3CA
SCHEMBL18848862 0.90 GPR119 (0.56) GPR119CYP4F2CYP4A11CPS1PARP15
SCHEMBL18848988 0.90 GPR119 (0.54) GPR119CYP4F2CYP4A11CPS1PARP15
SCHEMBL15539206 0.90 GPR119 (0.57) GPR119CYP4F2CYP4A11HPGDS
SCHEMBL18848897 0.90 GPR119 (0.52) GPR119CYP4F2CYP4A11HPGDS
SCHEMBL16757931 0.89 GPR119 (0.58) GPR119CYP4F2CYP4A11HPGDS

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
US-9944600-B2 Piperidine derivatives for GPR119 agonist CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-04-17 US disclosed