SCHEMBL4408586

SCHEMBL4408586

CN1C2CCC1CC(N(C(=O)O)c1ccccc1Br)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.47
CHRM2 P08172 6/20 0.47
CHRM1 P11229 6/20 0.47
CHRM4 P08173 3/20 0.46
CHRM5 P08912 3/20 0.46
HTR3E A5X5Y0 2/20 0.45
HTR3B O95264 2/20 0.45
CHRNA7 P36544 2/20 0.45
HTR3A P46098 2/20 0.45
HTR3D Q70Z44 2/20 0.45
HTR3C Q8WXA8 2/20 0.45
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL27140352 0.80 LMNA (0.42) CHRM3CHRM2LMNAMEN1KMT2A
SCHEMBL23795439 0.79 LMNA (0.49) CHRM3CHRM2LMNAMEN1KMT2A
SCHEMBL5007505 0.75 CHRM2 (0.47) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL5007506 0.75 CHRM2 (0.47) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL6887574 0.74 CHRM4 (0.52) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL6890095 0.74 CHRM4 (0.52) CHRM3CHRM2CHRM1CHRM4CHRM5
Hydrochloric Acid SCHEMBL4997661 0.72 SLC6A4 (0.41) LMNACYP2D6MEN1KMT2AHRH1
SCHEMBL7458953 0.72 OPRM1 (0.59) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL11030791 0.72 HTR3A (0.44) CHRM3CHRM2CHRM1CHRM4HTR3E
SCHEMBL5011412 0.70 CHRM2 (0.42) CHRM3CHRM2CHRM1CHRM4CHRM5

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-1711183-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-04-01 EP disclosed
EP-1711183-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-10-18 EP disclosed
WO-2005067537-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-07-28 WO disclosed