SCHEMBL7142072

SCHEMBL7142072

C[N+]1(C)CC[C@H](OC(=O)Cc2cccc(C3CCCCC3)c2O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.42
CHRM2 P08172 8/20 0.42
KCNH2 Q12809 2/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC22A1 O15245 1/20 0.36
CYP19A1 P11511 1/20 0.36
NAAA Q02083 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL7143841 1.00 CHRM3 (0.42) CHRM3CHRM2KCNH2CHRM4CHRM5
SCHEMBL8449813 1.00 CHRM3 (0.42) CHRM3CHRM2KCNH2CHRM4CHRM5
Bromide SCHEMBL5395427 0.99 CHRM3 (0.43) CHRM3CHRM2KCNH2CHRM4CHRM5
Bromide SCHEMBL5388585 0.99 CHRM3 (0.43) CHRM3CHRM2KCNH2CHRM4CHRM5
SCHEMBL5473748 0.99 CHRM3 (0.42) CHRM3CHRM2KCNH2CHRM4CHRM5
SCHEMBL2340421 0.99 CHRM3 (0.42) CHRM3CHRM2KCNH2CHRM4CHRM5
SCHEMBL1707214 0.99 CHRM3 (0.42) CHRM3CHRM2KCNH2CHRM4CHRM5
Bromide SCHEMBL1996228 0.98 CHRM3 (0.43) CHRM3CHRM2KCNH2CHRM4CHRM5
Bromide SCHEMBL417945 0.98 CHRM3 (0.43) CHRM3CHRM2KCNH2CHRM4CHRM5
Iodide SCHEMBL5386794 0.98 CHRM3 (0.42) CHRM3CHRM2KCNH2CHRM4CHRM5

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 4 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-6307060-B1 ANTISPASMODIC AGENTS Noe, Christian 2001-10-23 US claimed
EP-0937041-A1 PURE ENANTIOMER BASIC ARYL-CYCLOALKYL-HYDROXYCARBOXYLIC ACID ESTERS, PROCESS FOR PREPARING THE SAME AND THEIR USE IN MEDICAMENTS Noe, Christian R. (DE) 1999-08-25 EP claimed
WO-1998021183-A1 PURE ENANTIOMER BASIC ARYL-CYCLOALKYL-HYDROXYCARBOXYLIC ACID ESTERS, PROCESS FOR PREPARING THE SAME AND THEIR USE IN MEDICAMENTS NOE CHRISTIAN R (AT) 1998-05-22 WO claimed