SCHEMBL9762399

SCHEMBL9762399

O=C1CCON1Cc1cccnn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
GRIN1 Q05586 10/20 0.35
GRIN2B Q13224 10/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.33
IKZF2 Q9UKS7 1/20 0.31
KCNK13 Q9HB14 1/20 0.31
EGLN1 Q9GZT9 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
SCHEMBL9762054 0.80 DDB1 (0.48) CYP1A2
SCHEMBL9762460 0.73 RIPK3 (0.37) GRIN1GRIN2BCHRM2CHRM4CHRM5
SCHEMBL9762147 0.72 BRD4 (0.43) BRD4GRIN1GRIN2BCYP1A2CTDSP1
SCHEMBL9760860 0.72 LOXL2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9762141 0.71 KDM4E (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL44669 0.70 L3MBTL1 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7847449 0.70 L3MBTL1 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9760995 0.69 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9762225 0.68 PDE1A (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17288868 0.68 CXCR4 (0.44) CYP1A2IKZF2EGLN1

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