SCHEMBL29634694

SCHEMBL29634694

O=C(O)N1CCC2(CC1)Cc1ccc(Br)nc1O2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 7/20 0.35
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.31
▸ EPHX2 P34913 2/20 0.31
▸ ACACB O00763 2/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ CNR1 P21554 1/20 0.30
▸ ACACA Q13085 1/20 0.30

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
SCHEMBL29634703 0.85 TRPM8 (0.34) TRPM8HDAC3HDAC4HDAC1HDAC7
SCHEMBL29634722 0.78 TRPM8 (0.32) TRPM8HDAC3HDAC4HDAC1HDAC7
SCHEMBL29634705 0.77 TRPM8 (0.34) TRPM8HDAC3HDAC4HDAC1HDAC7
SCHEMBL29634706 0.69 GRM5 (0.45) EPHX2ACACB
SCHEMBL19030233 0.69 HSD11B1 (0.50) TRPM8HDAC3HDAC4HDAC1HDAC7
SCHEMBL22495703 0.69 TRPM8 (0.38) TRPM8HDAC3HDAC4HDAC1HDAC7
SCHEMBL29634699 0.68 ACACB (0.35) TRPM8HRH3EPHX2ACACBACACA
SCHEMBL29634697 0.68 TRPM8 (0.35) TRPM8HRH3EPHX2ACACBACACA
SCHEMBL21961916 0.68 HDAC3 (0.36) TRPM8HDAC3HDAC4HDAC1HDAC7
SCHEMBL29634698 0.68 TRPM8 (0.34) TRPM8EPHX2ACACBCNR1ACACA

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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