SCHEMBL7145504

SCHEMBL7145504

C[N+]1(C)CC[C@H](OC(=O)[C@](O)(c2cccs2)C2CCCC2)C1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.68
CHRM2 P08172 12/20 0.68
CHRM1 P11229 9/20 0.67
CHRM4 P08173 2/20 0.67
CHRM5 P08912 1/20 0.67
HRH1 P35367 1/20 0.67
HTR2B P41595 1/20 0.67
KCNH2 Q12809 1/20 0.67
LMNA P02545 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 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
SCHEMBL170999 1.00 CHRM3 (0.68) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL13716305 1.00 CHRM3 (0.68) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL7145497 1.00 CHRM3 (0.68) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL13716300 1.00 CHRM3 (0.68) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL131394 0.99 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL130614 0.99 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL7147345 0.94 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL7140049 0.94 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL7140053 0.94 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL7151353 0.93 CHRM3 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1369414-A1 Enantiomerically pure Arylcycloalkyl hydroxycarboxylic esters, processes for their preparation and their use as modulators of muscarinic receptors Noe, Christian R. (AT) 2003-12-10 EP claimed
US-7569598-B2 Process for the preparation of the R,R (or S,S) configured glycopyrronium stereoisomer MEDA PHARMA GMBH & CO. KG (DE) 2009-08-04 US disclosed