Acetylcholine

Acetylcholine

SCHEMBL28024216

Br.CC(=O)OCC[N+](C)(C)C.P.[Br-]

nearest known ligand 0.91

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Known targets — ChEMBL curated mechanism

CHRM3

The experimentally established mechanism targets of Acetylcholine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 known ✓ P20309 8/20 0.86
GALR3 O60755 2/20 0.91
GAA P10253 1/20 0.91
RAB9A P51151 1/20 0.91
CHRM1 P11229 8/20 0.86
CHRM2 P08172 7/20 0.86
CHRM4 P08173 7/20 0.86
CHRM5 P08912 6/20 0.86
CHRNB2 P17787 4/20 0.86
CHRNA4 P43681 4/20 0.86
CHRNA7 P36544 3/20 0.86
HTR1A P08908 2/20 0.86
SMN1; SMN2 Q16637 2/20 0.86
PGR P06401 1/20 0.86
TBXA2R P21731 1/20 0.86
CHRNB4 P30926 1/20 0.86
CHRNA3 P32297 1/20 0.86
CHRNA10 Q9GZZ6 1/20 0.86
CHRNA9 Q9UGM1 1/20 0.86
ADRA2A P08913 1/20 0.58

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
Acetylcholine SCHEMBL28024217 0.98 CHRM1 (0.91) GALR3GAARAB9ACHRM1CHRM3
Acetylcholine SCHEMBL317763 0.95 GALR3 (1.00) GALR3GAARAB9ACHRM1CHRM3
Acetylcholine SCHEMBL28024680 0.93 CHRM1 (0.91) GALR3GAARAB9ACHRM1CHRM3
Acetylcholine SCHEMBL5468500 0.93 CHRM5 (0.95) GALR3GAARAB9ACHRM1CHRM3
Acetylcholine SCHEMBL2518957 0.93 CHRM1 (1.00) GALR3GAARAB9ACHRM1CHRM3
Acetylcholine SCHEMBL3216 0.93 CHRM1 (1.00) GALR3GAARAB9ACHRM1CHRM3
Acetylcholine SCHEMBL28024678 0.91 CHRM1 (0.86) GALR3GAARAB9ACHRM1CHRM3
Acetylcholine SCHEMBL1899186 0.91 CHRM1 (0.95) GALR3GAARAB9ACHRM1CHRM3
Acetylcholine SCHEMBL8513991 0.91 CHRM1 (0.95) GALR3GAARAB9ACHRM1CHRM3
Acetylcholine SCHEMBL18227923 0.91 CHRM1 (0.95) GALR3GAARAB9ACHRM1CHRM3

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
CN-103890056-B Carbon fiber-reinforced thermoplastic resin composition, molding material, prepreg, and methods for producing same TORAY INDUSTRIES 2015-07-22 CN disclosed