SCHEMBL31283847

SCHEMBL31283847

c1cnc2cc(-c3cn[nH]c3)oc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ CHRNB2 P17787 2/20 0.40
▸ CHRNA4 P43681 2/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ AKT2 P31751 1/20 0.40
▸ ALK Q9UM73 1/20 0.38
▸ GRM4 Q14833 2/20 0.37
▸ MKNK1 Q9BUB5 2/20 0.36
▸ MET P08581 2/20 0.36
▸ PIM1 P11309 2/20 0.36
▸ ILK Q13418 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ FYN P06241 1/20 0.34

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
SCHEMBL28428414 0.78 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9430009 0.77 CYP1B1 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL29994221 0.76 METAP2 (0.54) AKT1AKT2GRM4ADRA2A
SCHEMBL7848655 0.73 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14542315 0.73 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4142273 0.73 MAOB (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24447710 0.71 BRD4 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10279116 0.70 QPCT (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10236232 0.70 KDM4E (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24776300 0.69 KDM4E (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3

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-2024229253-A1 METHODS AND TREATMENT OF VIRAL INFECTION CAUSED BY SARS-COV-2 WITH FUSED BICYCLIC HETEROCYCLIC COMPOUNDS AND USES THEREOF Verge Analytics, Inc. (US) 2024-11-07 — — WO disclosed
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