SCHEMBL23317324

SCHEMBL23317324

CNc1nc(F)c(CN2CCCC3(C2)OCc2ccncc23)s1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 3/20 0.34
▸ KCNH2 Q12809 1/20 0.30
▸ MCHR1 Q99705 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
SCHEMBL23317207 0.93 AVPR1A (0.31) AVPR1A
SCHEMBL23306083 0.90 OGA (0.36) AVPR1A
SCHEMBL29914317 0.90 OGA (0.36) AVPR1A
SCHEMBL23317427 0.88 SIGMAR1 (0.38) AVPR1AKCNH2
SCHEMBL23317310 0.87 AVPR1A (0.33) AVPR1AKCNH2MCHR1
SCHEMBL23317416 0.83 SMN1; SMN2 (0.36) AVPR1A
SCHEMBL23304714 0.83 OGA (0.36) —
SCHEMBL23305009 0.83 OGA (0.36) —
SCHEMBL23305000 0.83 OGA (0.36) —
SCHEMBL23317423 0.82 AVPR1A (0.34) AVPR1AKCNH2

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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