SCHEMBL7438461

SCHEMBL7438461

O=C1CCCC(=O)c2ccccc2N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
CYP2A6 P11509 1/20 0.52
NPC1 O15118 1/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
CRBN Q96SW2 2/20 0.44
LRRK2 Q5S007 2/20 0.44
PDGFRA P16234 1/20 0.44
FER P16591 1/20 0.44
LTK P29376 1/20 0.44
CDK8 P49336 1/20 0.44
ACVR1 Q04771 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44

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
SCHEMBL5525094 0.96 MAPT (0.56) MAPTMAOAMAOBCYP2A6NPC1
SCHEMBL1185391 0.88 NPC1 (0.59) MAPTMAOAMAOBCYP2A6NPC1
SCHEMBL1050699 0.78 AHR (0.57) MAPTMAOAMAOBNPC1MAPK13
SCHEMBL11804855 0.77 MAPT (0.51) MAPTMAOAMAOBNPC1MAPK13
SCHEMBL518954 0.76 MAPT (1.00) MAPTMAOAMAOBCYP2A6NPC1
SCHEMBL641073 0.74 MEN1 (0.49) MAPTMAOAMAOBCYP2A6NPC1
SCHEMBL7439873 0.74 MAPT (0.89) MAPTMAOAMAOBCYP2A6NPC1
SCHEMBL3052448 0.74 MAPT (0.53) MAPTNPC1MAPK13MAPK12MAPK11
Phthalimide SCHEMBL28352719 0.74 GSK3B (0.65) MAPTMAOAMAOBCYP2A6NPC1
SCHEMBL16962995 0.73 LRRK2 (0.44) MAPTMAOAMAOBCYP2A6NPC1

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-0119161-B1 BENZAZOCINONE AND BENZAZONINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS, AND THEIR THERAPEUTICAL USE CIBA-GEIGY AG (CH) 1989-06-28 EP disclosed
US-4537885-A SUBSTITUTED 1-CARBOXY-3-(CARBOXYMETHYLAMINO)-2-ONE DERIVATIVES, ANGIOTENSIN CONVERTING ENZYME INHIBITORS CIBA GEIGY CORPORATION (US) 1985-08-27 US disclosed
EP-0119161-A2 Benzazocinone and benzazoninone derivatives, process for their preparation, pharmaceutical preparations containing these compounds, and their therapeutical use CIBA-GEIGY AG (CH) 1984-09-19 EP disclosed
US-4470988-A HYPOTENSIVE AGENTS, ENZYME INHIBITOR, CARDIAC DISORDERS CIBA-GEIGY CORPORATION (US) 1984-09-11 US disclosed