SCHEMBL7380205

SCHEMBL7380205

CCOC(=O)c1cc2c(cn1)[nH]c1c(C)cc(Cl)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 13/20 0.60
GABRG2 P18507 13/20 0.60
GABRB3 P28472 13/20 0.60
GABRA5 P31644 13/20 0.60
GABRA3 P34903 13/20 0.60
GABRA2 P47869 13/20 0.60
GABRA4 P48169 10/20 0.60
GABRA6 Q16445 10/20 0.60
GABRP O00591 7/20 0.60
GABRD O14764 7/20 0.60
GABRB1 P18505 7/20 0.60
GABRB2 P47870 7/20 0.60
GABRE P78334 7/20 0.60
GABRG1 Q8N1C3 7/20 0.60
GABRG3 Q99928 7/20 0.60
GABRQ Q9UN88 7/20 0.60
ALDH1A1 P00352 4/20 0.60
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
KDM4E B2RXH2 3/20 0.60

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
SCHEMBL7382780 0.86 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7375694 0.83 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7379609 0.82 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7383113 0.82 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7380772 0.80 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7374019 0.80 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA5GABRA3
Bromide SCHEMBL7381142 0.78 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7374166 0.75 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10740909 0.75 GABRA1 (0.77) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30274389 0.75 GABRA1 (1.00) 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