SCHEMBL4762415

SCHEMBL4762415

COc1ccccc1C(O)(CC1CC2CCCCCCCCCCN(C)C(CCC2)C1)c1ccccc1OC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM3 P20309 7/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
ABCB1 P08183 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL4157584 0.84 CHRM3 (0.56) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL5428922 0.84 CHRM3 (0.56) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL4914195 0.80 CHRM3 (0.63) CHRM3CHRM2CHRM1
Bromide SCHEMBL4665143 0.72 CHRM3 (0.68) CHRM3CHRM2CHRM1
Bromide SCHEMBL4665139 0.72 CHRM3 (0.68) CHRM3CHRM2CHRM1
SCHEMBL3975188 0.70 CHRM3 (0.51) CHRM3CHRM2CHRM1
Iodide SCHEMBL3824722 0.69 CHRM3 (0.67) CHRM3CHRM2CHRM1
Iodide SCHEMBL3824719 0.69 CHRM3 (0.67) CHRM3CHRM2CHRM1
SCHEMBL2251112 0.69 CHRM3 (0.67) CHRM3CHRM2CHRM1
SCHEMBL5438579 0.69 CHRM3 (0.63) 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-1781103-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2008-05-14 EP disclosed
EP-1781103-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-05-09 EP disclosed
WO-2006017767-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-02-16 WO disclosed