SCHEMBL12954023

SCHEMBL12954023

CN1CCCC2CC(CC(CN)(c3ccccc3)c3ccccc3)CC21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 14/20 0.44
▸ CHRM2 P08172 12/20 0.44
▸ CHRM1 P11229 12/20 0.44
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35

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
SCHEMBL12954109 0.88 CHRM3 (0.60) CHRM3CHRM2CHRM1ATML3MBTL1
SCHEMBL13187336 0.86 CHRM3 (0.42) CHRM3CHRM2CHRM1ATML3MBTL1
SCHEMBL12953202 0.84 CHRM3 (0.45) CHRM3CHRM2CHRM1ATML3MBTL1
SCHEMBL12953549 0.81 CHRM3 (0.65) CHRM3CHRM2CHRM1ATML3MBTL1
SCHEMBL10316394 0.81 CHRM3 (0.60) CHRM3CHRM2CHRM1
SCHEMBL12954022 0.81 CHRM3 (0.60) CHRM3CHRM2CHRM1
SCHEMBL12954020 0.80 CHRM3 (0.62) CHRM3CHRM2CHRM1ATML3MBTL1
SCHEMBL12953201 0.80 CHRM3 (0.60) CHRM3CHRM2CHRM1ATML3MBTL1
SCHEMBL12953389 0.80 CHRM2 (0.66) CHRM3CHRM2CHRM1L3MBTL1
SCHEMBL12953791 0.79 CHRM3 (0.67) CHRM3CHRM2CHRM1ATML3MBTL1

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
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