SCHEMBL31163752

SCHEMBL31163752

COC(=O)C1(Cc2ccccn2)CN(C(=O)OC(C)(C)C)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.43
PDE10A Q9Y233 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
USP30 Q70CQ3 2/20 0.41
DTYMK P23919 1/20 0.40
GRM1 Q13255 1/20 0.40
ACHE P22303 1/20 0.39
MAPT P10636 1/20 0.39
KDR P35968 1/20 0.39
POLB P06746 1/20 0.39
HCRTR2 O43614 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
CYP11B2 P19099 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
SCHEMBL5226358 1.00 GRM5 (0.43) GRM5PDE10AGPR119USP30DTYMK
SCHEMBL5226349 1.00 GRM5 (0.43) GRM5PDE10AGPR119USP30DTYMK
SCHEMBL5226353 1.00 GRM5 (0.43) GRM5PDE10AGPR119USP30DTYMK
SCHEMBL4763188 0.90 ALDH1A1 (0.43) GRM5PDE10AGPR119USP30DTYMK
SCHEMBL5230017 0.85 STS (0.43) GPR119USP30ACHECYP11B2
SCHEMBL5229997 0.85 STS (0.43) GPR119USP30ACHECYP11B2
SCHEMBL5230008 0.85 STS (0.43) GPR119USP30ACHECYP11B2
SCHEMBL5226196 0.80 MAPK1 (0.44) GRM5PDE10AGPR119USP30DTYMK
SCHEMBL6333649 0.79 DDB1 (0.38) USP30MAPTCYP11B2
SCHEMBL6699701 0.78 GPR119 (0.41) GRM5PDE10AGPR119USP30DTYMK

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
WO-2024217441-A1 GHSR 1A AGONIST, PHARMACEUTICAL COMPOSITION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 长春金赛药业有限责任公司 2024-10-24 WO disclosed