SCHEMBL12953389

SCHEMBL12953389

CN1CCCC2C[C@@H](CC(CNS(=O)(=O)c3ccccc3)(c3ccccc3)c3ccccc3)C[C@@H]21

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 7/20 0.66
▸ CHRM1 P11229 7/20 0.66
▸ CHRM3 P20309 7/20 0.66
▸ ALDH1A1 P00352 4/20 0.41
▸ PKM P14618 1/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ GBA1 P04062 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ MCOLN2 Q8IZK6 1/20 0.36
▸ MCOLN1 Q9GZU1 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL12953549 0.82 CHRM3 (0.65) CHRM2CHRM1CHRM3ALDH1A1L3MBTL1
SCHEMBL142015 0.80 CHRM3 (1.00) CHRM2CHRM1CHRM3CYP2C19GBA1
SCHEMBL142014 0.80 CHRM3 (1.00) CHRM2CHRM1CHRM3CYP2C19GBA1
SCHEMBL12954023 0.80 CHRM3 (0.44) CHRM2CHRM1CHRM3L3MBTL1
SCHEMBL12954109 0.80 CHRM3 (0.60) CHRM2CHRM1CHRM3L3MBTL1
SCHEMBL12953791 0.79 CHRM3 (0.67) CHRM2CHRM1CHRM3L3MBTL1
SCHEMBL12954024 0.78 CHRM2 (0.69) CHRM2CHRM1CHRM3
SCHEMBL12953202 0.76 CHRM3 (0.45) CHRM2CHRM1CHRM3CYP2C19KCNH2
SCHEMBL13187336 0.76 CHRM3 (0.42) CHRM2CHRM1CHRM3CYP2C19KCNH2
SCHEMBL12953184 0.75 CHRM3 (0.47) CHRM2CHRM1CHRM3ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677795-B1 MUSCARINIC ACETYCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2011-01-05 — — EP disclosed
Send feedback