SCHEMBL3975188

SCHEMBL3975188

CN1CCCCCCCCCCC2CCC1CC(CC(O)(c1ccsc1)c1ccsc1)C2

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.51
CHRM2 P08172 7/20 0.44
CHRM1 P11229 7/20 0.44
DRD2 P14416 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL4254213 0.81 CHRM3 (0.66) CHRM3CHRM2CHRM1
SCHEMBL2251112 0.72 CHRM3 (0.67) CHRM3CHRM2CHRM1
SCHEMBL4762415 0.70 MEN1 (0.41) CHRM3CHRM2CHRM1
Bromide SCHEMBL4631513 0.69 CHRM3 (0.85) CHRM3CHRM2CHRM1
SCHEMBL15210058 0.67 CHRM3 (0.71) CHRM3CHRM2CHRM1
SCHEMBL4910595 0.63 CHRM3 (0.74) CHRM3CHRM2CHRM1
SCHEMBL1009919 0.63 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL1009920 0.63 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL4905800 0.61 CHRM3 (0.74) CHRM3CHRM2CHRM1
SCHEMBL4168576 0.61 CHRM3 (0.89) CHRM3CHRM2CHRM1

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-1937230-A4 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-08-26 EP disclosed
EP-1937230-A2 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-07-02 EP disclosed
WO-2007016650-A2 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed