SCHEMBL13875666

SCHEMBL13875666

C=CC(/C=C/c1ccc(N(CCO)CCO)cc1)=C\C=[N+](/C)CC(=O)NC(C=O)CSSCC(C=O)NC(=O)C[n+]1ccc(/C=C/c2ccc(N(CCO)CCO)cc2)cc1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.30
▸ CHRM4 P08173 1/20 0.30
▸ CHRM5 P08912 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ CHRM3 P20309 1/20 0.30

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
SCHEMBL13799735 0.85 — —
SCHEMBL18774294 0.74 — —
SCHEMBL19649354 0.73 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18774410 0.72 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13327493 0.71 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16281753 0.70 — —
SCHEMBL13327485 0.69 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15356211 0.69 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13799692 0.68 — —
SCHEMBL19649348 0.68 CHRM2 (0.38) 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
EP-2053094-A2 Composition for dyeing keratinous fibres comprising at least one direct dye with disulphur/thiol function and at least one polymer with thiol function and method using the composition L'Oréal (FR) 2009-04-29 — — EP disclosed
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