SCHEMBL23317511

SCHEMBL23317511

CNc1nc(F)c(CN2CCC3(Cc4cccnc4O3)C2)s1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ OPRM1 P35372 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ SIGMAR1 Q99720 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
SCHEMBL23304888 0.89 OGA (0.40) —
SCHEMBL23317296 0.83 OGA (0.39) CHRNB2CHRNA7CHRNA4HTR3A
SCHEMBL23317227 0.81 — —
SCHEMBL23317423 0.76 AVPR1A (0.34) OPRM1KCNH2
SCHEMBL23317323 0.74 OGA (0.40) —
SCHEMBL23305438 0.73 OGA (0.55) —
SCHEMBL23304827 0.71 OGA (0.41) —
SCHEMBL23317427 0.71 SIGMAR1 (0.38) OPRM1KCNH2SIGMAR1
SCHEMBL23304805 0.71 OGA (0.40) —
SCHEMBL23317197 0.69 SIGMAR1 (0.44) SIGMAR1

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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