SCHEMBL29634706

SCHEMBL29634706

O=C(O)N1CCC2(Cc3ccc(OCc4ccccc4)nc3O2)C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.45
▸ GABRA5 P31644 1/20 0.35
▸ MGLL Q99685 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ ALKBH1 Q13686 1/20 0.34
▸ CYP11B2 P19099 1/20 0.33
▸ EPHX2 P34913 1/20 0.33

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
SCHEMBL29634716 0.92 GRM5 (0.46) GRM5ALKBH1CYP11B2
SCHEMBL24409029 0.88 GPR119 (0.43) GRM5CYP11B2
SCHEMBL29634722 0.78 TRPM8 (0.32) EPHX2
SCHEMBL29634705 0.77 TRPM8 (0.34) EPHX2
SCHEMBL29634703 0.70 TRPM8 (0.34) ACACBEPHX2
SCHEMBL29634694 0.69 TRPM8 (0.35) ACACBEPHX2
SCHEMBL21834134 0.69 GABRG2 (0.47) GRM5GABRA5
SCHEMBL349554 0.68 HRH3 (0.48) ACACB
SCHEMBL349555 0.68 HRH3 (0.48) ACACB
SCHEMBL19030072 0.67 EPHX2 (0.49) EPHX2

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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