SCHEMBL29548305

SCHEMBL29548305

CC(C)(C)OC(=O)N1CC2(CCC(c3cnn4ccc(O)cc34)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 4/20 0.40
▸ RET P07949 6/20 0.39
▸ ACACB O00763 3/20 0.38
▸ SCD5 Q86SK9 1/20 0.38
▸ EGLN2 Q96KS0 1/20 0.37
▸ OXTR P30559 1/20 0.37
▸ AVPR1A P37288 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ ESR2 Q92731 1/20 0.36
▸ GPR183 P32249 1/20 0.36
▸ GPR119 Q8TDV5 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
SCHEMBL31487947 0.86 MAPT (0.46) RETGPR119
SCHEMBL29548514 0.86 GPR119 (0.44) SPRRETACACBSCD5EGLN2
SCHEMBL29548540 0.82 RET (0.39) SPRRETSCD5EGLN2GPR119
SCHEMBL29548391 0.81 SPR (0.40) SPRRETACACBSCD5CYP11B2
SCHEMBL29548481 0.80 SPR (0.37) SPRRETACACBSCD5CYP11B2
SCHEMBL29548473 0.80 SPR (0.37) SPRRETACACBSCD5CYP11B2
SCHEMBL29548733 0.80 RET (0.41) SPRRETEGLN2GPR119
SCHEMBL29548851 0.78 SCD5 (0.38) SPRRETSCD5CYP11B2GPR119
SCHEMBL31487838 0.74 HTT (0.53) GPR119
SCHEMBL26631332 0.72 HDAC2 (0.40) SPRACACBSCD5GPR183GPR119

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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