SCHEMBL20053576

SCHEMBL20053576

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

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.58
CYP4F2 P78329 8/20 0.41
CYP4A11 Q02928 8/20 0.41
CPS1 P31327 1/20 0.40
NR3C1 P04150 1/20 0.40
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39

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
SCHEMBL18848862 0.94 GPR119 (0.56) GPR119CYP4F2CYP4A11CPS1NR3C1
SCHEMBL15538261 0.92 GPR119 (0.54) GPR119CYP4F2CYP4A11
SCHEMBL15539460 0.92 GPR119 (0.54) GPR119CYP4F2CYP4A11
SCHEMBL15538264 0.92 GPR119 (0.54) GPR119CYP4F2CYP4A11
SCHEMBL20053543 0.92 GPR119 (0.54) GPR119CYP4F2CYP4A11CPS1NR3C1
SCHEMBL18848988 0.92 GPR119 (0.54) GPR119CYP4F2CYP4A11CPS1NR3C1
SCHEMBL15537613 0.91 GPR119 (0.56) GPR119CYP4F2CYP4A11CPS1PARP15
SCHEMBL15538925 0.90 GPR119 (0.57) GPR119CYP4F2CYP4A11
SCHEMBL15537654 0.90 GPR119 (0.57) GPR119CYP4F2CYP4A11
SCHEMBL15537652 0.90 GPR119 (0.57) GPR119CYP4F2CYP4A11

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