SCHEMBL29634721

SCHEMBL29634721

CC(C)(C)OC(=O)N1CCC2(CC1)Cc1c(Cl)ccnc1O2

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ GPR119 Q8TDV5 12/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 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
SCHEMBL24408859 1.00 POLB (0.44) POLBOPRD1OPRK1GPR119MEN1
SCHEMBL29634698 0.83 TRPM8 (0.34) —
SCHEMBL29634693 0.83 POLB (0.49) POLBOPRD1OPRK1GPR119MEN1
SCHEMBL24408862 0.83 POLB (0.49) POLBOPRD1OPRK1GPR119MEN1
SCHEMBL13161934 0.80 POLB (0.48) POLBOPRD1OPRK1GPR119
SCHEMBL24408911 0.79 POLB (0.50) POLBOPRD1OPRK1GPR119MEN1
SCHEMBL12543252 0.78 POLB (0.47) POLBOPRD1OPRK1GPR119KMT2A
SCHEMBL24409120 0.76 GPR119 (0.45) POLBOPRD1OPRK1GPR119
SCHEMBL31283120 0.73 GPR119 (0.49) POLBOPRD1OPRK1GPR119
SCHEMBL25390075 0.73 GPR119 (0.49) POLBOPRD1OPRK1GPR119

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-2022095971-A1 SPIRO HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海医药集团股份有限公司 2022-05-12 — — WO disclosed
Send feedback