SCHEMBL8809392

SCHEMBL8809392

COc1cc2oc(=O)c3c(c2cc1OCCCN1CCN(c2ccccc2)CC1)CCCC3

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.56
DRD3 P35462 3/20 0.56
BCHE P06276 3/20 0.56
ACHE P22303 3/20 0.56
HTR1A P08908 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL8810369 0.98 DRD2 (0.56) DRD2DRD3BCHEACHEHTR1A
SCHEMBL8809835 0.95 BCHE (0.54) DRD2DRD3BCHEACHE
SCHEMBL8809090 0.95 BCHE (0.54) DRD2DRD3BCHEACHE
SCHEMBL8807067 0.94 ACHE (0.53) DRD2DRD3BCHEACHEKDM4E
SCHEMBL8807935 0.90 ACHE (0.60) BCHEACHEHTR1A
SCHEMBL8807359 0.90 BCHE (0.55) DRD2DRD3BCHEACHEKDM4E
SCHEMBL8807544 0.89 BCHE (0.48) BCHEACHE
SCHEMBL8810740 0.88 DRD2 (0.59) DRD2
SCHEMBL8806534 0.88 ALDH1A1 (0.55) DRD2ALDH1A1HPGD
SCHEMBL8805913 0.87 DRD2 (0.71) DRD2DRD3HTR1A

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 4 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
EP-0584091-A1 BENZOPYRANONES, METHODS OF MANUFACTURE AND USE THEREOF. SCHWABE WILLMAR GMBH & CO (DE) 1994-03-02 EP disclosed
WO-1992018493-A1 BENZOPYRANONES, METHODS OF MANUFACTURE AND USE THEREOF DR. WILLMAR SCHWABE GMBH & CO. (DE) 1992-10-29 WO disclosed