SCHEMBL23317310

SCHEMBL23317310

CNc1nc(F)c(CN2CCC3(C2)OCc2cnccc23)s1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 1/20 0.33
▸ KCNH2 Q12809 6/20 0.33
▸ MCHR1 Q99705 4/20 0.33
▸ SIGMAR1 Q99720 1/20 0.31
▸ OPRM1 P35372 2/20 0.31
▸ OPRK1 P41145 1/20 0.31

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
SCHEMBL23317207 0.95 AVPR1A (0.31) AVPR1A
SCHEMBL23304817 0.89 OGA (0.38) —
SCHEMBL23317309 0.89 AVPR1A (0.33) AVPR1AKCNH2MCHR1
SCHEMBL23317324 0.87 AVPR1A (0.34) AVPR1AKCNH2MCHR1
SCHEMBL23305009 0.84 OGA (0.36) —
SCHEMBL23304714 0.84 OGA (0.36) —
SCHEMBL23305000 0.84 OGA (0.36) —
SCHEMBL23317427 0.82 SIGMAR1 (0.38) AVPR1AKCNH2SIGMAR1OPRM1OPRK1
SCHEMBL29914317 0.77 OGA (0.36) AVPR1A
SCHEMBL23317423 0.76 AVPR1A (0.34) AVPR1AKCNH2OPRM1

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
Send feedback