SCHEMBL12954022

SCHEMBL12954022

CN1CCCC2CC(CC(C#N)(c3ccccc3)c3ccccc3)CC21

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 17/20 0.60
▸ CHRM2 P08172 2/20 0.60
▸ CHRM1 P11229 2/20 0.60
▸ KCNA3 P22001 3/20 0.46

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
SCHEMBL10316394 1.00 CHRM3 (0.60) CHRM3CHRM2CHRM1KCNA3
SCHEMBL12953202 0.84 CHRM3 (0.45) CHRM3CHRM2CHRM1
SCHEMBL13187336 0.84 CHRM3 (0.42) CHRM3CHRM2CHRM1
SCHEMBL12954023 0.81 CHRM3 (0.44) CHRM3CHRM2CHRM1
SCHEMBL12954109 0.81 CHRM3 (0.60) CHRM3CHRM2CHRM1
SCHEMBL12953201 0.80 CHRM3 (0.60) CHRM3CHRM2CHRM1
SCHEMBL12954020 0.78 CHRM3 (0.62) CHRM3CHRM2CHRM1
SCHEMBL12953184 0.76 CHRM3 (0.47) CHRM3CHRM2CHRM1
SCHEMBL5442969 0.76 CHRM3 (0.89) CHRM3CHRM2CHRM1
SCHEMBL5442971 0.76 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 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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