SCHEMBL29548733

SCHEMBL29548733

CC(C)(C)OC(=O)N1CC2(CCC(c3cnn4ccc(O)c(C#N)c34)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 15/20 0.41
▸ GPR119 Q8TDV5 2/20 0.39
▸ EGLN2 Q96KS0 1/20 0.38
▸ SPR P35270 1/20 0.36

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
SCHEMBL29548391 0.87 SPR (0.40) RETSPR
SCHEMBL29548481 0.86 SPR (0.37) RETSPR
SCHEMBL29548473 0.86 SPR (0.37) RETGPR119SPR
SCHEMBL29548305 0.80 SPR (0.40) RETGPR119EGLN2SPR
SCHEMBL29548514 0.74 GPR119 (0.44) RETGPR119EGLN2SPR
SCHEMBL29548540 0.71 RET (0.39) RETGPR119EGLN2SPR
SCHEMBL29548575 0.71 GPR119 (0.37) GPR119SPR
SCHEMBL26631332 0.68 HDAC2 (0.40) GPR119SPR
SCHEMBL25031301 0.67 HPGD (0.41) GPR119
SCHEMBL25412980 0.67 PDE4B (0.49) —

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-2022070288-A1 NITROGEN-CONTAINING BICYCLIC COMPOUND 旭化成ファーマ株式会社 2022-04-07 — — WO disclosed
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