SCHEMBL7380810

SCHEMBL7380810

COC(=O)c1cc2c(cn1)[nH]c1ccc(OC)cc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 14/20 0.74
GABRG2 P18507 14/20 0.74
GABRB3 P28472 14/20 0.74
GABRA3 P34903 14/20 0.74
GABRA5 P31644 13/20 0.74
GABRA2 P47869 13/20 0.74
GABRA4 P48169 8/20 0.74
GABRA6 Q16445 8/20 0.74
GABRP O00591 5/20 0.74
GABRD O14764 5/20 0.74
GABRB1 P18505 5/20 0.74
GABRB2 P47870 5/20 0.74
GABRE P78334 5/20 0.74
GABRG1 Q8N1C3 5/20 0.74
GABRG3 Q99928 5/20 0.74
GABRQ Q9UN88 5/20 0.74
UBE2N P61088 1/20 0.74
KDM4E B2RXH2 3/20 0.71
ALDH1A1 P00352 3/20 0.71
MAPT P10636 3/20 0.71

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
SCHEMBL1981698 0.88 GABRA1 (0.63) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7382901 0.87 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7377213 0.87 KDM4E (0.68) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL10405046 0.85 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7381874 0.84 KDM4E (0.54) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL10859305 0.84 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2353190 0.84 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA3GABRA5
Beta-Ccm SCHEMBL1066725 0.83 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
Beta-Ccm SCHEMBL30480071 0.83 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
Beta-Ccm SCHEMBL28185000 0.82 GABRA1 (0.97) GABRA1GABRG2GABRB3GABRA3GABRA5

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
US-5010077-A Tranquilizers A/S FERROSAN (DK) 1991-04-23 US disclosed
EP-0030254-B1 BETA-CARBOLIN-3-CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR THERAPEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 1984-10-31 EP disclosed
US-4371536-A TRANQUILIZERS A/S FERROSAN (DK) 1983-02-01 US disclosed
EP-0030254-A1 Beta-carbolin-3-carboxylic acid derivatives, pharmaceutical compositions containing them and their therapeutical use SCHERING AKTIENGESELLSCHAFT (DE) 1981-06-17 EP disclosed