SCHEMBL23317197

SCHEMBL23317197

CNc1ncc(CN2CCC3(Cc4ccccc4O3)C2)s1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.44
▸ OGA O60502 12/20 0.42
▸ LMNA P02545 1/20 0.41
▸ DRD2 P14416 2/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ CCR1 P32246 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL23304935 0.87 OGA (0.59) OGA
SCHEMBL23317296 0.86 OGA (0.39) OGALMNA
SCHEMBL23317297 0.83 OGA (0.40) OGADRD2SMN1; SMN2
SCHEMBL23305245 0.76 OGA (0.53) OGA
SCHEMBL23317387 0.75 SIGMAR1 (0.46) SIGMAR1OGA
SCHEMBL11257702 0.75 SIGMAR1 (0.71) SIGMAR1DRD2HTR2A
SCHEMBL23304989 0.75 OGA (0.54) OGACCR1
SCHEMBL29914275 0.75 OGA (0.54) OGACCR1
SCHEMBL2633399 0.74 SIGMAR1 (0.51) SIGMAR1DRD2HTR2AADRA1DADRA1A
SCHEMBL23305438 0.74 OGA (0.55) OGA

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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