SCHEMBL24408910

SCHEMBL24408910

CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccnc(C#N)c1O2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 11/20 0.47
▸ NAMPT P43490 1/20 0.40
▸ EGLN2 Q96KS0 1/20 0.40
▸ JAK2 O60674 4/20 0.40
▸ JAK1 P23458 4/20 0.40
▸ MGLL Q99685 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
SCHEMBL24409120 0.85 GPR119 (0.45) GPR119NAMPT
SCHEMBL24408911 0.84 POLB (0.50) GPR119NAMPT
SCHEMBL28753038 0.76 GPR119 (0.47) GPR119JAK2JAK1
SCHEMBL13161934 0.76 POLB (0.48) GPR119NAMPT
SCHEMBL22520476 0.76 GPR119 (0.52) GPR119NAMPT
SCHEMBL25390075 0.74 GPR119 (0.49) GPR119
SCHEMBL29634691 0.74 GPR119 (0.54) GPR119NAMPT
SCHEMBL31283120 0.74 GPR119 (0.49) GPR119
SCHEMBL22582994 0.73 GPR119 (0.45) GPR119
SCHEMBL17848653 0.73 GPR119 (0.54) GPR119

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 2 patents. 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
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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