SCHEMBL9762460

SCHEMBL9762460

O=C1CCON1Cc1ccncn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 1/20 0.37
CYP1B1 Q16678 1/20 0.37
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
SCN9A Q15858 1/20 0.34
GRIN1 Q05586 6/20 0.33
GRIN2B Q13224 6/20 0.33
GSK3B P49841 1/20 0.32
IKZF2 Q9UKS7 1/20 0.31
LOXL2 Q9Y4K0 2/20 0.31
HRH1 P35367 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
SCHEMBL9762141 0.78 KDM4E (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9762399 0.73 BRD4 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9761830 0.72 BRD4 (0.41) RIPK3CYP1B1GRIN1GRIN2BLOXL2
SCHEMBL9760995 0.72 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9762485 0.71 CHRM2 (0.38) CYP1B1CHRM2CHRM4CHRM5CHRM1
SCHEMBL9762225 0.71 PDE1A (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9760860 0.69 LOXL2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17289037 0.68 HRH1 (0.44) CYP1B1IKZF2HRH1
SCHEMBL7847449 0.67 L3MBTL1 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL44669 0.67 L3MBTL1 (0.45) 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
US-5066665-A Cognition activators; alzheimer*s disease WARNER-LAMBERT CO. (US) 1991-11-19 US disclosed