SCHEMBL29634691

SCHEMBL29634691

CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cnccc1O2

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 10/20 0.54
▸ NAMPT P43490 8/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.45
▸ CCNC P24863 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ HASPIN Q8TF76 1/20 0.43

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
SCHEMBL23304792 0.93 GPR119 (0.50) GPR119NAMPTHRH3CCNCCDK8
SCHEMBL22520476 0.91 GPR119 (0.52) GPR119NAMPTHRH3CCNCCDK8
SCHEMBL19839298 0.91 GPR119 (0.61) GPR119NAMPTHRH3CCNCCDK8
SCHEMBL19839814 0.87 KMT2A (0.50) GPR119NAMPTCCNCCDK8HASPIN
SCHEMBL24408866 0.84 GPR119 (0.48) GPR119NAMPTHRH3CCNCCDK8
SCHEMBL18572347 0.84 CCNC (0.50) GPR119NAMPTCCNCCDK8HASPIN
SCHEMBL31094899 0.83 GPR119 (0.54) GPR119HRH3
SCHEMBL17848653 0.83 GPR119 (0.54) GPR119HRH3
SCHEMBL24409036 0.83 GPR119 (0.50) GPR119NAMPTHRH3CCNCCDK8
SCHEMBL18572366 0.81 CCNC (0.47) GPR119NAMPTCCNCCDK8HASPIN

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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