SCHEMBL14472825

SCHEMBL14472825

CN1C2C=C[C@@H]1CC(OC(=O)C(O)(c1cccs1)c1cccs1)C2

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.60
CHRM2 P08172 12/20 0.60
CHRM1 P11229 10/20 0.57
CHRM4 P08173 2/20 0.57
CHRM5 P08912 2/20 0.57
TSPO P30536 1/20 0.57
ADRA1A P35348 1/20 0.57
HRH1 P35367 1/20 0.57
OPRK1 P41145 1/20 0.57
KCNH2 Q12809 1/20 0.57
PDE3A Q14432 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57

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
SCHEMBL14278854 1.00 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL16742011 1.00 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1900207 1.00 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4886984 0.85 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4886957 0.85 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4886970 0.85 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL15926494 0.82 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL14278853 0.82 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL14304865 0.82 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL15186127 0.82 CHRM3 (0.69) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897588-A1 AN INHALABLE MEDICAMENT Teva Branded Pharmaceutical Products R & D, Inc. (US) 2015-07-29 EP disclosed
WO-2015077594-A1 AN INHALABLE MEDICAMENT TEVA BRANDED PHARMACEUTICAL PRODUCTS R&D, INC. (US) 2015-05-28 WO disclosed
EP-1808435-A1 Technical synthesis method for producing tropenol Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-07-18 EP disclosed