SCHEMBL20053597

SCHEMBL20053597

CC(C)(F)CN1CCC(COc2ccc(-c3cnc(C(=O)N4CCCC4)cn3)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.40
ALOX5AP P20292 5/20 0.40
FEN1 P39748 5/20 0.40
PARP10 Q53GL7 2/20 0.37
PARP15 Q460N3 1/20 0.37
HCRTR2 O43614 1/20 0.36
P2RY1 P47900 2/20 0.36
ADRB2 P07550 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL15539418 0.90 GPR119 (0.42) GPR119ALOX5APFEN1PARP10PARP15
SCHEMBL20053647 0.89 MCHR1 (0.39) GPR119ALOX5APFEN1PARP10PARP15
SCHEMBL15539640 0.88 GPR119 (0.41) GPR119ALOX5APFEN1P2RY1CYP4F2
SCHEMBL20053598 0.87 GPR119 (0.46) GPR119CYP4F2CYP4A11
SCHEMBL15538821 0.87 CNR2 (0.42) GPR119ALOX5APFEN1PARP10PARP15
SCHEMBL15538816 0.87 CNR2 (0.42) GPR119ALOX5APFEN1PARP10PARP15
SCHEMBL20053594 0.85 GPR119 (0.46) GPR119ADRB2CYP4F2CYP4A11
SCHEMBL20053739 0.83 ADRB2 (0.45) GPR119ADRB2KCNH2
SCHEMBL20053536 0.83 GPR119 (0.40) GPR119ALOX5APFEN1ADRB2KCNH2
SCHEMBL15539450 0.82 ALOX5AP (0.41) GPR119ALOX5APFEN1PARP10PARP15

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