SCHEMBL8801428

SCHEMBL8801428

COCc1c(OC(=O)OC(C)C)ncc2[nH]c3cccc(OCc4ccccc4)c3c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 10/20 0.62
GABRG2 P18507 10/20 0.62
GABRB3 P28472 10/20 0.62
GABRA5 P31644 10/20 0.62
GABRA3 P34903 10/20 0.62
GABRA2 P47869 10/20 0.62
GABRP O00591 7/20 0.62
GABRD O14764 7/20 0.62
GABRB1 P18505 7/20 0.62
GABRB2 P47870 7/20 0.62
GABRA4 P48169 7/20 0.62
GABRE P78334 7/20 0.62
GABRA6 Q16445 7/20 0.62
GABRG1 Q8N1C3 7/20 0.62
GABRG3 Q99928 7/20 0.62
GABRQ Q9UN88 7/20 0.62
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL9838086 0.93 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9838100 0.92 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9837802 0.91 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9838524 0.91 GABRP (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9838133 0.91 GABRP (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9837738 0.90 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9837805 0.90 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9535667 0.89 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9687526 0.88 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8802542 0.88 GABRA1 (0.53) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0239667-B1 5-OR 6-SUBSTITUTED BETA-CARBOLINE-3-CARBOXYLIC-ACID ESTERS SCHERING AKTIENGESELLSCHAFT (DE) 1991-05-02 EP claimed
EP-0805810-A1 NOVEL 9H-PYRIDO 3,4-B]INDOL DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1997-11-12 EP disclosed
EP-0670837-B1 METHOD OF PREPARING BETA-CARBOLINES SCHERING AG (DE) 1996-10-16 EP disclosed
WO-1996022989-A1 NOVEL 9H-PYRIDO[3,4-B]INDOL DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1996-08-01 WO disclosed
EP-0239667-B1 5-OR 6-SUBSTITUTED BETA-CARBOLINE-3-CARBOXYLIC-ACID ESTERS SCHERING AKTIENGESELLSCHAFT (DE) 1991-05-02 EP disclosed