SCHEMBL29548540

SCHEMBL29548540

CC(C)(C)OC(=O)N1CC2(CCC(c3cnn4ccc(-c5ccc(N)cn5)cc34)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 11/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ SPR P35270 3/20 0.37
▸ GPR119 Q8TDV5 3/20 0.37
▸ SCD5 Q86SK9 1/20 0.36
▸ EGLN2 Q96KS0 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
SCHEMBL29548514 0.84 GPR119 (0.44) RETHDAC1HDAC2SPRGPR119
SCHEMBL29548305 0.82 SPR (0.40) RETSPRGPR119SCD5EGLN2
SCHEMBL29548851 0.76 SCD5 (0.38) RETHDAC1HDAC2SPRGPR119
SCHEMBL29548156 0.75 — —
SCHEMBL29548391 0.72 SPR (0.40) RETSPRSCD5
SCHEMBL29548473 0.72 SPR (0.37) RETSPRGPR119SCD5
SCHEMBL29548481 0.72 SPR (0.37) RETSPRSCD5
SCHEMBL25603496 0.71 NAMPT (0.44) HDAC1HDAC2GPR119SCD5
SCHEMBL29548733 0.71 RET (0.41) RETSPRGPR119EGLN2
SCHEMBL31487947 0.69 MAPT (0.46) RETGPR119

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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