SCHEMBL16600167

SCHEMBL16600167

C=C(C)C(=O)OCC[N+](C)(C)CC[N+](C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 6/20 0.52
CHRM1 P11229 6/20 0.52
CHRM3 P20309 6/20 0.52
CHRM2 P08172 5/20 0.48
CHRM4 P08173 5/20 0.48
CHRNB2 P17787 4/20 0.48
CHRNA4 P43681 4/20 0.48
CHRNA7 P36544 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTR1A P08908 2/20 0.48
PGR P06401 1/20 0.48
TBXA2R P21731 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA10 Q9GZZ6 1/20 0.48
CHRNA9 Q9UGM1 1/20 0.48
THRB P10828 1/20 0.47
GALR3 O60755 2/20 0.47
MAPT P10636 1/20 0.47
BLM P54132 1/20 0.47

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
Hydrochloric Acid SCHEMBL1548124 1.00 CHRM5 (0.52) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL10300016 0.92 THRB (0.53) CHRM5CHRM1CHRM3CHRM2CHRM4
Bromide SCHEMBL725843 0.90 THRB (0.52) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL180003 0.88 CHRM5 (0.65) CHRM5CHRM1CHRM3CHRM2CHRM4
Hydrochloric Acid SCHEMBL30183040 0.88 CHRM5 (0.65) CHRM5CHRM1CHRM3CHRM2CHRM4
Hydrochloric Acid SCHEMBL15954 0.88 CHRM5 (0.65) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL16592503 0.88 CHRM5 (0.41) CHRM5CHRM1CHRM3CHRM2CHRM4
Bromide SCHEMBL366432 0.86 CHRM1 (0.63) CHRM5CHRM1CHRM3CHRM2CHRM4
Ammonia Solution, Strong SCHEMBL468696 0.86 CHRM5 (0.63) CHRM5CHRM1CHRM3CHRM2CHRM4
Hydrochloric Acid SCHEMBL9492830 0.86 CHRM5 (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3049451-A1 CATIONIC COPOLYMERS Construction Research & Technology GmbH (DE) 2016-08-03 EP disclosed
WO-2015043805-A1 CATIONIC COPOLYMERS CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2015-04-02 WO disclosed