Acetylcholine

Acetylcholine

SCHEMBL1258635

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

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

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 6/20 0.73
CHRM5 P08912 6/20 0.73
CHRM1 P11229 6/20 0.73
CHRM2 P08172 5/20 0.73
CHRM4 P08173 5/20 0.73
CHRNB2 P17787 4/20 0.73
CHRNA4 P43681 4/20 0.73
CHRNA7 P36544 3/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
HTR1A P08908 2/20 0.73
PGR P06401 1/20 0.73
TBXA2R P21731 1/20 0.73
CHRNB4 P30926 1/20 0.73
CHRNA3 P32297 1/20 0.73
CHRNA10 Q9GZZ6 1/20 0.73
CHRNA9 Q9UGM1 1/20 0.73
GALR3 O60755 2/20 0.70
GAA P10253 1/20 0.70
RAB9A P51151 1/20 0.70
ADRA1A P35348 2/20 0.50

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 SCHEMBL27970924 0.92 CHRM1 (0.79) CHRM5CHRM1CHRM3CHRM2CHRM4
Acetylcholine SCHEMBL1258634 0.90 CHRM1 (0.76) CHRM5CHRM1CHRM3CHRM2CHRM4
Acetylcholine SCHEMBL28462551 0.90 CHRM5 (0.80) CHRM5CHRM1CHRM3CHRM2CHRM4
Acetylcholine SCHEMBL8513991 0.88 CHRM1 (0.95) CHRM5CHRM1CHRM3CHRM2CHRM4
Acetylcholine SCHEMBL27531690 0.86 CHRM1 (0.83) CHRM5CHRM1CHRM3CHRM2CHRM4
Acetylcholine SCHEMBL29113198 0.86 CHRM1 (0.91) CHRM5CHRM1CHRM3CHRM2CHRM4
Acetylcholine SCHEMBL2518957 0.85 CHRM1 (1.00) CHRM5CHRM1CHRM3CHRM2CHRM4
Acetylcholine SCHEMBL3216 0.85 CHRM1 (1.00) CHRM5CHRM1CHRM3CHRM2CHRM4
Phosphocholine SCHEMBL3485572 0.85 CHRM5 (0.68) CHRM5CHRM1CHRM3CHRM2CHRM4
Acetylcholine SCHEMBL28462553 0.84 CHRM1 (0.79) CHRM5CHRM1CHRM3CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4937369-A Analogues of phosphatidylcholine or phosphatidyl ethanol amines BIOCOMPATIBLE, LTD. (GB) 1990-06-26 US claimed
EP-0157469-A1 Phosphoric acid esters, their preparation and their use for the preparation of biocompatible surfaces BIOCOMPATIBLES LTD. (GB) 1985-10-09 EP claimed
US-20110040248-A1 METHODS AND IMPLANTABLE DEVICES FOR TREATING SUPRAVENTRICULAR ARRHYTHMIAS CLOSED LOOP THERAPIES BV (NL) 2011-02-17 US disclosed
US-7781402-B2 Methods and implantable devices for treating supraventricular arrhythmias CLOSED LOOP THERAPIES LTD. (IL) 2010-08-24 US disclosed
EP-1809374-A4 METHODS AND IMPLANTABLE DEVICES FOR TREATING SUPRAVENTRICULAR ARRHYTHMIAS CLOSED LOOP THERAPIES LTD (IL) 2008-09-10 EP disclosed
EP-1809374-A1 METHODS AND IMPLANTABLE DEVICES FOR TREATING SUPRAVENTRICULAR ARRHYTHMIAS Closed Loop Therapies Ltd. (IL) 2007-07-25 EP disclosed
WO-2006040765-A1 METHODS AND IMPLANTABLE DEVICES FOR TREATING SUPRAVENTRICULAR ARRHYTHMIAS CLOSED LOOP THERAPIES LTD. (IL) 2006-04-20 WO disclosed
US-20060079941-A1 Methods and implantable devices for treating supraventricular arrhythmias CLOSED LOOP THERAPIES LTD. (IL) 2006-04-13 US disclosed
US-5380904-A Process for rendering a surface biocompatible, and articles containing the same BIOCOMPATIBLES LTD. (GB) 1995-01-10 US disclosed
US-5229162-A Article having biocompatible surface BIOCOMPATIBLES LTD. (GB) 1993-07-20 US disclosed
EP-0275293-B1 POLYESTERS BIOCOMPATIBLES LTD. (GB) 1992-10-21 EP disclosed
US-5091551-A Trialkyl-O-(W-aminoalkyl)-phosphatidylalkylammonium salts useful for the manufacture of biocompatible surfaces BIOCOMPATIBLES LTD. (GB) 1992-02-25 US disclosed
US-4937369-A Analogues of phosphatidylcholine or phosphatidyl ethanol amines BIOCOMPATIBLE, LTD. (GB) 1990-06-26 US disclosed
EP-0157469-B1 PHOSPHORIC ACID ESTERS, THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF BIOCOMPATIBLE SURFACES BIOCOMPATIBLES LTD. (GB) 1989-05-31 EP disclosed
US-4792599-A Biocompatible polyesters BIOCOMPATIBLES LTD. (GB) 1988-12-20 US disclosed
EP-0275293-A1 POLYESTERS. BIOCOMPATIBLES LTD (GB) 1988-07-27 EP disclosed
WO-1988000956-A1 POLYESTERS BIOCOMPATIBLES LIMITED (GB) 1988-02-11 WO disclosed
US-4721800-A Biocompatible surfaces BIOCOMPATIBLES LTD. (GB) 1988-01-26 US disclosed
EP-0157469-A1 Phosphoric acid esters, their preparation and their use for the preparation of biocompatible surfaces BIOCOMPATIBLES LTD. (GB) 1985-10-09 EP disclosed
WO-1985003295-A1 PHOSPHORIC ACID ESTERS, THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF BIOCOMPATIBLE SURFACES BIOCOMPATIBLES LTD. (GB) 1985-08-01 WO disclosed