SCHEMBL9007845

SCHEMBL9007845

O=c1[nH]c2cc(F)cc(F)c2c(=O)cc1O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 10/20 0.51
DDO Q99489 5/20 0.51
GPR17 Q13304 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39

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
SCHEMBL9393175 0.83 DAO (0.49) DAODDOGPR17KDM4E
SCHEMBL9393343 0.79 DAO (0.46) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL9387612 0.78 DAO (0.66) DAODDO
SCHEMBL9389006 0.75 DAO (0.54) DAODDO
SCHEMBL8873562 0.74 DAO (0.51) DAODDOKDM4EGRIN2DGRIN3B
SCHEMBL312015 0.73 MEN1 (0.46) KDM4E
SCHEMBL9007832 0.72 DAO (0.65) DAODDOKDM4E
SCHEMBL9387834 0.72 DAO (0.46) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL9387925 0.71 DAO (0.53) DAODDO
SCHEMBL8873456 0.71 GPR17 (0.38) DAODDOGPR17KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517876-B1 THERAPEUTIC BENZAZEPINE COMPOUNDS ZENECA LTD (GB) 1996-10-23 EP claimed
US-5446039-A Treating nervous system and brain disorder, acting as excitatory amino acid antagonist IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1995-08-29 US claimed
US-5254683-A Neurological disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US claimed
WO-1992011854-A1 THERAPEUTIC BENZAZEPINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-23 WO claimed
EP-0517876-B1 THERAPEUTIC BENZAZEPINE COMPOUNDS ZENECA LTD (GB) 1996-10-23 EP disclosed
US-5541319-A REACTING SUBSTITUTED BENZAZEPINE ETHER WITH BORON TRIHALIDE TO FORM HYDROXY GROUP, FORMING SALT WITH BASE IF DESIRED ZENECA LIMITED (GB) 1996-07-30 US disclosed
US-5446039-A Treating nervous system and brain disorder, acting as excitatory amino acid antagonist IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1995-08-29 US disclosed
WO-1994007500-A1 2,5-DIHYDRO-2,5-DIOXO-1H-AZEPINES AND 2,5-DIHYDRO-2-OXO-1H-AZEPINES AND THE USE THEREOF AS EXCITATORY AMINO ACID AND GLYCINE RECEPTOR ANTAGONISTS WEBER ECKARD (US) 1994-04-14 WO disclosed
US-5254683-A Neurological disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US disclosed
EP-0517876-A1 THERAPEUTIC BENZAZEPINE COMPOUNDS. ICI PLC (GB) 1992-12-16 EP disclosed
WO-1992011854-A1 THERAPEUTIC BENZAZEPINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-23 WO disclosed