SCHEMBL12954019

SCHEMBL12954019

CN1CCCC2CC(CI)CC21

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ L3MBTL3 Q96JM7 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL22703925 0.85 CHRM2 (0.33) CHRM2DRD2L3MBTL3ALDH1A1
SCHEMBL14962056 0.81 — —
SCHEMBL17662672 0.81 — —
SCHEMBL17662649 0.81 — —
SCHEMBL22703931 0.76 L3MBTL3 (0.35) DRD2L3MBTL3ALDH1A1
SCHEMBL16350305 0.75 CHRM2 (0.37) CHRM2DRD2L3MBTL3
SCHEMBL22704368 0.74 CHRM2 (0.36) CHRM2DRD2L3MBTL3
SCHEMBL12131647 0.74 CHRM2 (0.36) CHRM2DRD2L3MBTL3
SCHEMBL22699060 0.73 CYP1A2 (0.41) DRD2L3MBTL3ALDH1A1
SCHEMBL19354324 0.73 CYP1A2 (0.41) DRD2L3MBTL3ALDH1A1

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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