SCHEMBL9715624

SCHEMBL9715624

O=c1c([N+]2([O-])CCCC2)c(O)c2cccnc2n1-c1nccnn1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.33
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 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
SCHEMBL9488229 0.82 FEN1 (0.49) FEN1CNR1CNR2
SCHEMBL9629791 0.81 FEN1 (0.48) FEN1CNR1CNR2
SCHEMBL10427749 0.77 MEN1 (0.42) FEN1CNR1CNR2
SCHEMBL10427743 0.77 FEN1 (0.39) FEN1
Water SCHEMBL9715629 0.76 FEN1 (0.34) FEN1CNR1CNR2
SCHEMBL9629023 0.73 FEN1 (0.46) FEN1CNR1CNR2
SCHEMBL10667466 0.71 MAPT (0.45) CNR1CNR2
SCHEMBL10582954 0.71 FEN1 (0.44) FEN1
SCHEMBL10580192 0.70 FEN1 (0.36) FEN1
SCHEMBL10427736 0.69 FEN1 (0.37) FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232328-B1 ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS SCHERING CORPORATION (US) 1992-04-15 EP disclosed
US-4902693-A Anti-allergic esters, acetal ethers, thioethers and nitrogen substituted derivatives of bicyclic compounds SCHERING CORPORATION (US) 1990-02-20 US disclosed
EP-0302303-A2 Bicyclic compounds, their use as pharmaceuticals, their preparation, and intermediates useful in their preparation SCHERING CORPORATION (US) 1989-02-08 EP disclosed
US-4794116-A ANTIINFLAMMATORY AGENTS, CYTOPROTECTIVE AGENTS IN TREATMENT OF HYPERPROLIFERATIVE SKIN DISEASE SCHERING CORPORATION (US) 1988-12-27 US disclosed
US-4782067-A Anti-allergic composition containing zwitterionic bicyclic compounds SCHERING CORPORATION (US) 1988-11-01 US disclosed
EP-0232328-A1 ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS. SCHERING CORP (US) 1987-08-19 EP disclosed
US-4684727-A Zwitterionic 1,8-naphthyridine and pyrazino[2,3-b]pyridine containing compounds useful as anti-allergic, anti-inflammatory and cycloprotective agents SCHERING CORPORATION (US) 1987-08-04 US disclosed
WO-1987000752-A2 ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS SCHERING CORPORATION (US) 1987-02-12 WO disclosed