Ipratropium

Ipratropium

SCHEMBL691922

CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1.CC(C)[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2.[Br-]

nearest known ligand 0.64

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 3/20 0.64
CHRM2 P08172 5/20 0.64
CHRM5 P08912 4/20 0.64
CHRM4 P08173 3/20 0.64
CHRM1 P11229 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
TSHR P16473 2/20 0.64
BLM P54132 3/20 0.54
PABPC1 P11940 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 2/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRK1 P41145 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 SCHEMBL4231044 0.84 CHRM2 (0.63) CHRM2CHRM5CHRM4CHRM1CHRM3
Ipratropium SCHEMBL2166848 0.84 CHRM2 (0.63) CHRM2CHRM5CHRM4CHRM1CHRM3
Ipratropium SCHEMBL28250222 0.84 CHRM2 (0.65) CHRM2CHRM5CHRM4CHRM1CHRM3
Ipratropium SCHEMBL28223580 0.83 CHRM2 (0.64) CHRM2CHRM5CHRM4CHRM1CHRM3
Ipratropium SCHEMBL2169666 0.83 CHRM2 (0.64) CHRM2CHRM5CHRM4CHRM1CHRM3
Ipratropium SCHEMBL28250221 0.83 CHRM2 (0.63) CHRM2CHRM5CHRM4CHRM1CHRM3
Ipratropium SCHEMBL2167530 0.82 CHRM2 (0.60) CHRM2CHRM5CHRM4CHRM1CHRM3
Ipratropium SCHEMBL27974717 0.82 CHRM2 (0.60) CHRM2CHRM5CHRM4CHRM1CHRM3
Ipratropium SCHEMBL29400593 0.82 CHRM2 (0.60) CHRM2CHRM5CHRM4CHRM1CHRM3
Ipratropium SCHEMBL117888 0.81 CHRM2 (0.60) CHRM2CHRM5CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340716-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE AND ASTHMA UNIVERSITY OF INDIANA RESEARCH & TECHNOLOGY CORPORATION 2017-11-30 US disclosed
EP-2421552-B1 COLLAGEN V FOR USE IN THE TREATMENT OF ASTHMA UNIV INDIANA RES & TECH CORP (US) 2016-12-14 EP disclosed
US-8568730-B2 Compositions for use in the treatment of chronic obstructive pulmonary diseases and asthma INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2013-10-29 US disclosed
US-20130195903-A1 COMPOSITIONS FOR USE IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES AND ASTHMA INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2013-08-01 US disclosed
US-20120052081-A1 COMPOSITIONS FOR USE IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES AND ASTHMA INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2012-03-01 US disclosed
EP-2421552-A1 Compositions for use in the treatment of chronic obstructive pulmonary diseases and asthma Indiana University Research and Technology Corporation (US) 2012-02-29 EP disclosed
WO-2010124058-A1 COMPOSITIONS FOR USE IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES AND ASTHMA INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2010-10-28 WO disclosed