SCHEMBL7380772

SCHEMBL7380772

CCOC(=O)c1cc2c(cn1)[nH]c1c(Cl)cccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 12/20 0.69
GABRG2 P18507 12/20 0.69
GABRB3 P28472 12/20 0.69
GABRA5 P31644 12/20 0.69
GABRA3 P34903 12/20 0.69
GABRA2 P47869 12/20 0.69
GABRA4 P48169 10/20 0.69
GABRA6 Q16445 10/20 0.69
GABRP O00591 7/20 0.69
GABRD O14764 7/20 0.69
GABRB1 P18505 7/20 0.69
GABRB2 P47870 7/20 0.69
GABRE P78334 7/20 0.69
GABRG1 Q8N1C3 7/20 0.69
GABRG3 Q99928 7/20 0.69
GABRQ Q9UN88 7/20 0.69
ALDH1A1 P00352 4/20 0.69
MAPT P10636 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
KDM4E B2RXH2 3/20 0.69

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
SCHEMBL7379609 0.88 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7374166 0.86 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10738846 0.85 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7380679 0.84 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29672619 0.82 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30274389 0.82 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL601711 0.82 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7380205 0.80 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7375694 0.80 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7374019 0.79 GABRA1 (0.72) 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
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