SCHEMBL13964773

SCHEMBL13964773

C=C/C=C(C#Cc1cccc2ccccc12)\C=C/NC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 1/20 0.35
▸ HRH3 Q9Y5N1 4/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PLK1 P53350 1/20 0.31
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 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
SCHEMBL13964778 0.78 NPSR1 (0.36) GRM5
SCHEMBL21241507 0.68 — —
SCHEMBL6561814 0.67 PLK1 (0.49) CHATGRM5ACACBALDH1A1PGR
SCHEMBL13980253 0.67 MTNR1A (0.41) CHATALDH1A1GAAPTGS1MAPK1
SCHEMBL2776015 0.64 CHAT (0.60) CHATHRH3GRM5ACACBALDH1A1
SCHEMBL29661843 0.64 CHAT (0.60) CHATHRH3GRM5ACACBALDH1A1
SCHEMBL29749080 0.63 NR4A1 (0.47) CHATGRM5ACACBALDH1A1GAA
SCHEMBL7833808 0.63 NR4A1 (0.47) CHATGRM5ACACBALDH1A1GAA
SCHEMBL6364668 0.62 CHAT (0.58) CHATHRH3GRM5ACACBALDH1A1
SCHEMBL5489398 0.62 ACACB (0.42) CHATHRH3GRM5ACACBALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018848-A2 Hair composition comprising at least one fluorescent dye and at least one alkali hydroxide agent and method of simultaneous styling, dyeing and/or lightening. L'Oreal (FR) 2009-01-28 — — EP disclosed
EP-1997475-A2 Composition comprising at least one substituted derivative of acetylenic carbocyanine, method of treating keratinous fibres implementing it and device L'Oréal (FR) 2008-12-03 — — EP disclosed
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