Ipratropium

Ipratropium

SCHEMBL2167530

CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.CC(C)[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O=S(=O)(O)O.[Br-]

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRM3

The experimentally established mechanism targets of Ipratropium. 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 2/20 0.60
CHRM2 P08172 4/20 0.60
CHRM5 P08912 3/20 0.60
MEN1 O00255 2/20 0.60
CHRM4 P08173 2/20 0.60
CHRM1 P11229 2/20 0.60
KMT2A Q03164 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TSHR P16473 2/20 0.59
PMP22 Q01453 1/20 0.54
BLM P54132 2/20 0.50
PABPC1 P11940 1/20 0.48
CYP2C19 P33261 1/20 0.47
ADRB2 P07550 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
NFKB1 P19838 1/20 0.47
HIF1A Q16665 1/20 0.47
ADRB1 P08588 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
Ipratropium SCHEMBL29400593 1.00 CHRM2 (0.60) CHRM2CHRM5MEN1CHRM4CHRM1
Ipratropium SCHEMBL27974717 1.00 CHRM2 (0.60) CHRM2CHRM5MEN1CHRM4CHRM1
Ipratropium SCHEMBL117888 0.99 CHRM2 (0.60) CHRM2CHRM5MEN1CHRM4CHRM1
Ipratropium SCHEMBL2166848 0.97 CHRM2 (0.63) CHRM2CHRM5MEN1CHRM4CHRM1
Ipratropium SCHEMBL4231044 0.97 CHRM2 (0.63) CHRM2CHRM5MEN1CHRM4CHRM1
Ipratropium SCHEMBL28250222 0.96 CHRM2 (0.65) CHRM2CHRM5MEN1CHRM4CHRM1
Ipratropium SCHEMBL28223580 0.96 CHRM2 (0.64) CHRM2CHRM5MEN1CHRM4CHRM1
Ipratropium SCHEMBL2169666 0.96 CHRM2 (0.64) CHRM2CHRM5MEN1CHRM4CHRM1
Ipratropium SCHEMBL28250221 0.96 CHRM2 (0.63) CHRM2CHRM5MEN1CHRM4CHRM1
Atropine SCHEMBL5079571 0.86 MAPT (0.64) CHRM2CHRM5MEN1CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9011923-B2 Suspension formulations INNOVATA BIOMED LIMITED (GB) 2015-04-21 US disclosed
US-20130142879-A1 SUSPENSION FORMULATIONS INNOVATA BIOMED LIMITED (GB) 2013-06-06 US disclosed
US-20110182997-A1 SUSPENSION FORMULATIONS VECTURA LIMITED (GB) 2011-07-28 US disclosed
EP-2249807-A2 SUSPENSION FORMULATIONS Vectura Limited (GB) 2010-11-17 EP disclosed
WO-2009095681-A2 SUSPENSION FORMULATIONS VECTURA LIMITED (GB) 2009-08-06 WO disclosed
US-20020081266-A1 Spray dried powders for pulmonary or nasal administration NORTON HEALTHCARE LTD. 2002-06-27 US disclosed