SCHEMBL20320720

SCHEMBL20320720

C=C/C=C(\C=C/NCCCC[n+]1ccc(/C=C/c2ccc(N(CCO)CCO)cc2)cc1)/C=C/c1ccc(N(CCO)CCO)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
KDM4A O75164 2/20 0.36
KDM2A Q9Y2K7 2/20 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
SCHEMBL20320719 0.89 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19903918 0.86 KDM4A (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20329172 0.85 ALDH1A1 (0.30)
SCHEMBL19903963 0.85 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20320889 0.85 EGFR (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20317380 0.78 NPC1 (0.32)
SCHEMBL18774338 0.76 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18774287 0.75 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18774291 0.75 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19003845 0.74 KDM4A (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-2018115393-A1 PROCESS FOR DYEING AND RELAXING CURLS OF KERATIN FIBRES, USING REDUCING AGENTS AND HAIR DYES, AND ASSOCIATED KIT L'OREAL (FR) 2018-06-28 WO disclosed