SCHEMBL8910786

SCHEMBL8910786

O=c1[nH]c2ccc(F)cc2n2c(=O)[nH]nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.49
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ADORA3 P0DMS8 1/20 0.41
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 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
SCHEMBL7418199 0.82 DAO (0.49) DAONPSR1RXFP1ADORA3GABRP
SCHEMBL7413505 0.82 NPSR1 (0.44) NPSR1RXFP1KDM4EMEN1KMT2A
SCHEMBL7353145 0.78 NPSR1 (0.72) NPSR1RXFP1KDM4EADORA3MEN1
SCHEMBL8136188 0.75 FEN1 (0.51) DAOKDM4EFEN1MEN1KMT2A
SCHEMBL8912201 0.74 PGR (0.45) NPSR1RXFP1PDE3BPDE3APGR
SCHEMBL7351886 0.73 PDE5A (0.50) NPSR1RXFP1ADORA3MEN1KMT2A
SCHEMBL7347754 0.73 PDE5A (0.50) NPSR1RXFP1MEN1KMT2A
SCHEMBL8911220 0.73 GRIN2D (0.42) GRIA1
SCHEMBL8134451 0.72 FEN1 (0.51) DAOKDM4EGABRPGABRDGABRA1
SCHEMBL7347889 0.71 PARP1 (0.39) NPSR1RXFP1GRIA1MEN1KMT2A

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-0698024-B1 [1,2,4]TRIAZOLO [4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1997-01-22 EP disclosed
US-5532236-A TREATMENT OF PARKINSON'S DISEASE NOVO NORDISK A/S (DK) 1996-07-02 US disclosed
EP-0698024-A1 1,2,4]TRIAZOLO 4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1996-02-28 EP disclosed
WO-1994026746-A1 [1,2,4]TRIAZOLO[4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-11-24 WO disclosed