SCHEMBL20053644

SCHEMBL20053644

CC(C)(F)CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCCC4)c(F)c3)c(C#N)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.40
PARP10 Q53GL7 2/20 0.39
PARP15 Q460N3 1/20 0.39
MTOR P42345 2/20 0.39
CPS1 P31327 2/20 0.39
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
KDM1A O60341 4/20 0.37
SCN9A Q15858 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL15540217 0.94 GPR119 (0.42) GPR119PARP10PARP15MTORCPS1
SCHEMBL15539702 0.93 ALOX5AP (0.41) GPR119PARP10PARP15MTORKDM1A
SCHEMBL15539701 0.93 ALOX5AP (0.41) GPR119PARP10PARP15MTORKDM1A
SCHEMBL18849061 0.92 KDM1A (0.42) GPR119KDM1A
SCHEMBL20053732 0.91 PARP10 (0.45) GPR119PARP10PARP15MTORCPS1
SCHEMBL18849091 0.91 GPR119 (0.40) GPR119MTORKDM1A
SCHEMBL15539410 0.90 SSTR5 (0.41) GPR119PARP10PARP15KCNH2TRPV4
SCHEMBL21535174 0.90 GPR119 (0.37) GPR119PARP10PARP15TRPV4KDM1A
SCHEMBL21042669 0.89 HCRTR2 (0.39) GPR119PARP10PARP15CPS1HRH3
SCHEMBL20053738 0.89 HRH3 (0.43) GPR119HRH3KDM1A

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-3074384-B1 AMIDE DERIVATIVES FOR GPR119 AGONIST CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2019-05-22 EP disclosed
US-9944600-B2 Piperidine derivatives for GPR119 agonist CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-04-17 US disclosed