SCHEMBL1440004

SCHEMBL1440004

CCC(Cl)CN1CCC(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
S1PR5 Q9H228 6/20 0.40
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC18A3 Q16572 2/20 0.36
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL12465587 0.82 SMN1; SMN2 (0.39) SMN1; SMN2S1PR5S1PR4S1PR1S1PR3
SCHEMBL3396679 0.81 SMN1; SMN2 (0.46) SMN1; SMN2S1PR5ALDH1A1
SCHEMBL6975583 0.81 SMN1; SMN2 (0.42) SMN1; SMN2S1PR5S1PR4S1PR1S1PR3
SCHEMBL1048787 0.79 SMN1; SMN2 (0.44) SMN1; SMN2S1PR5S1PR4S1PR1S1PR3
SCHEMBL321619 0.78 PIK3CD (0.50) SMN1; SMN2S1PR5LMNAL3MBTL1ALDH1A1
SCHEMBL28098432 0.77 L3MBTL1 (0.40) SMN1; SMN2S1PR5LMNAL3MBTL1ALDH1A1
SCHEMBL855052 0.75 SMN1; SMN2 (0.67) SMN1; SMN2S1PR5S1PR4S1PR1S1PR3
SCHEMBL11308867 0.75 SMN1; SMN2 (0.39) SMN1; SMN2S1PR5LMNAL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL6997154 0.74 SMN1; SMN2 (0.64) SMN1; SMN2S1PR5S1PR4S1PR1S1PR3
Hydrochloric Acid SCHEMBL27035457 0.73 L3MBTL1 (0.42) SMN1; SMN2LMNAL3MBTL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2885298-A1 CHEMICAL PROCESS Glaxo Group Limited (GB) 2015-06-24 EP disclosed
WO-2014027045-A1 CHEMICAL PROCESS GLAXO GROUP LIMITED (GB) 2014-02-20 WO disclosed
WO-2011029896-A1 METHODS OF PREPARATION OF MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-03-17 WO disclosed
EP-1747219-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS FIELD OF THE INVENTION GLAXO GROUP LIMITED (GB) 2007-01-31 EP disclosed
EP-1740177-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-01-10 EP disclosed
WO-2005112644-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-12-01 WO disclosed
WO-2005104745-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-11-10 WO disclosed