SCHEMBL2360201

SCHEMBL2360201

O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1

nearest known ligand 0.92

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.92
CHRM2 P08172 16/20 0.92
CHRM1 P11229 16/20 0.92
CHRM4 P08173 2/20 0.71
CHRM5 P08912 2/20 0.71
ADRA2A P08913 2/20 0.71
ADRA2C P18825 2/20 0.71
TACR1 P25103 2/20 0.71
ADRA1A P35348 2/20 0.71
HRH1 P35367 2/20 0.71
OPRK1 P41145 2/20 0.71
KCNH2 Q12809 2/20 0.71

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
SCHEMBL5978127 1.00 CHRM3 (0.92) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL155126 0.99 CHRM3 (0.92) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL4558111 0.99 CHRM3 (0.92) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL5979178 0.96 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL5977160 0.96 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL5976377 0.96 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL1234717 0.95 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL5978626 0.95 CHRM3 (0.98) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL5979058 0.95 CHRM3 (0.98) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL1234906 0.95 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117542-A1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE AstraZeneca AB (SE) 2009-11-18 EP claimed
WO-2008096111-A1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-08-14 WO claimed
EP-1353919-B1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2006-07-26 EP claimed
EP-2117542-B1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2011-08-17 EP disclosed
EP-2210614-A1 Combinations comprising antimuscarinic agents and PDE4 inhibitors Almirall S.A. (ES) 2010-07-28 EP disclosed
EP-2117542-A1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE AstraZeneca AB (SE) 2009-11-18 EP disclosed
WO-2008096111-A1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-08-14 WO disclosed
EP-1905451-A1 Combinations comprising antimuscarinic agents and corticosteroids Laboratorios Almirall, S.A. (ES) 2008-04-02 EP disclosed
EP-1891974-A1 Combinations comprising antimuscarinic agents and PDE4 inhibitors Laboratorios Almirall, S.A. (ES) 2008-02-27 EP disclosed