SCHEMBL23317387

SCHEMBL23317387

CNc1ncc(CN2CCC3(C2)OCc2ccccc23)s1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.46
▸ OPRM1 P35372 2/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ OGA O60502 1/20 0.44

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
SCHEMBL23305013 0.88 OGA (0.60) OGA
SCHEMBL29914326 0.88 OGA (0.60) OGA
SCHEMBL23305079 0.82 OGA (0.55) OGA
SCHEMBL29914314 0.82 OGA (0.55) OGA
SCHEMBL23317492 0.82 LMNA (0.38) SIGMAR1OGA
SCHEMBL23317416 0.82 SMN1; SMN2 (0.36) OGA
SCHEMBL23317306 0.80 LMNA (0.39) SIGMAR1OPRM1KCNH2OPRK1OGA
SCHEMBL23304848 0.77 OGA (0.53) OGA
SCHEMBL23317493 0.76 SIGMAR1 (0.41) SIGMAR1OGA
SCHEMBL23317427 0.75 SIGMAR1 (0.38) SIGMAR1OPRM1KCNH2OPRK1

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-2021086966-A1 SPIROCYCLIC O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2021-05-06 — — WO disclosed
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