SCHEMBL7495494

SCHEMBL7495494

O=C(c1cc2c(cn1)[nH]c1ccccc12)n1ccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.60
GABRG2 P18507 9/20 0.60
GABRB3 P28472 9/20 0.60
GABRA5 P31644 9/20 0.60
GABRA3 P34903 9/20 0.60
GABRA2 P47869 9/20 0.60
GABRP O00591 8/20 0.60
GABRD O14764 8/20 0.60
GABRB1 P18505 8/20 0.60
GABRB2 P47870 8/20 0.60
GABRA4 P48169 8/20 0.60
GABRE P78334 8/20 0.60
GABRA6 Q16445 8/20 0.60
GABRG1 Q8N1C3 8/20 0.60
GABRG3 Q99928 8/20 0.60
GABRQ Q9UN88 8/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 4/20 0.55
MAPT P10636 4/20 0.55
KDM4E B2RXH2 3/20 0.55

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
SCHEMBL30480076 0.77 GABRP (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1180609 0.77 GABRP (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL966651 0.77 GABRP (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9288910 0.77 CYP17A1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29381558 0.76 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30302588 0.76 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1180278 0.76 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10857122 0.74 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL28704925 0.74 GABRA1 (0.97) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8141088 0.74 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3

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-0823909-B1 NOVEL HETEROCYCLIC CHEMISTRY BRITISH TECH GROUP INT (GB) 2002-09-11 EP disclosed
US-5834482-A 3-(1,2,4-OXA- OR THIAZOLYL),9-((PHENYL,4-HYDROXYPIPERIDIN-1-YL)ALKYL-BETA-CARBOLINES AS INHIBITORS FOR THE UPTAKE OF GAMMA-AMINOBUTYRIC ACID VIA THE GAT-4 SUBTYPE CARRIER; ANTI-EPILEPTIC AND ANXIOLYTIC AGENTS; DYSKINESIAS; MUSCLE DISORDER NOVO NORDISK A/S (DK) 1998-11-10 US disclosed
EP-0823909-A1 NOVEL HETEROCYCLIC CHEMISTRY NOVO NORDISK A/S (DK) 1998-02-18 EP disclosed
WO-1996034865-A1 NOVEL HETEROCYCLIC CHEMISTRY NOVO NORDISK A/S (DK) 1996-11-07 WO disclosed