SCHEMBL29634693

SCHEMBL29634693

CC(C)(C)OC(=O)N1CCC2(CC1)Cc1c(ccnc1Cl)O2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ GPR119 Q8TDV5 10/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.42
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ STS P08842 1/20 0.39
▸ IDO1 P14902 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
SCHEMBL24408862 1.00 POLB (0.49) POLBGPR119HRH3OPRD1OPRK1
SCHEMBL24408911 0.83 POLB (0.50) POLBGPR119HRH3OPRD1OPRK1
SCHEMBL24408859 0.83 POLB (0.44) POLBGPR119OPRD1OPRK1KMT2A
SCHEMBL29634721 0.83 POLB (0.44) POLBGPR119OPRD1OPRK1KMT2A
SCHEMBL25390075 0.78 GPR119 (0.49) POLBGPR119HRH3OPRD1OPRK1
SCHEMBL31283120 0.78 GPR119 (0.49) POLBGPR119HRH3OPRD1OPRK1
SCHEMBL29634691 0.78 GPR119 (0.54) GPR119HRH3
SCHEMBL3491735 0.76 EPHX2 (0.55) POLBGPR119KMT2A
SCHEMBL19839814 0.76 KMT2A (0.50) GPR119KMT2A
SCHEMBL24408874 0.76 GPR119 (0.46) POLBGPR119HRH3KMT2AIDO1

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
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