SCHEMBL8809090

SCHEMBL8809090

COc1cc2oc(=O)c3c(c2cc1OCCCCCN1CCN(c2ccccc2)CC1)CCC3

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL8809835 0.99 BCHE (0.54) BCHEACHEDRD2DRD3
SCHEMBL8810369 0.96 DRD2 (0.56) BCHEACHEDRD2DRD3
SCHEMBL8809392 0.95 DRD2 (0.56) BCHEACHEDRD2DRD3
SCHEMBL8807067 0.94 ACHE (0.53) BCHEACHEDRD2DRD3
SCHEMBL8807935 0.89 ACHE (0.60) BCHEACHE
SCHEMBL8807359 0.89 BCHE (0.55) BCHEACHEDRD2DRD3
SCHEMBL8807544 0.88 BCHE (0.48) BCHEACHE
SCHEMBL8810740 0.87 DRD2 (0.59) DRD2
SCHEMBL8807166 0.86 ACHE (0.53) BCHEACHE
SCHEMBL8806534 0.86 ALDH1A1 (0.55) DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584091-B1 BENZOPYRANONES, METHODS OF MANUFACTURE AND USE THEREOF SCHWABE WILLMAR GMBH & CO (DE) 1997-01-15 EP disclosed
US-5428038-A Administering for preventing or treating N-methyl-D-aspartate induced convulsions DR. WILLMAR SCHWABE GMBH & CO. (DE) 1995-06-27 US disclosed