SCHEMBL9525733

SCHEMBL9525733

CCOC(=O)Oc1ncc2[nH]c3cccc(O)c3c2c1COC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 17/20 0.52
GABRG2 P18507 17/20 0.52
GABRB3 P28472 17/20 0.52
GABRA5 P31644 17/20 0.52
GABRA3 P34903 17/20 0.52
GABRA2 P47869 15/20 0.52
GABRA6 Q16445 11/20 0.52
GABRP O00591 10/20 0.52
GABRD O14764 10/20 0.52
GABRB1 P18505 10/20 0.52
GABRB2 P47870 10/20 0.52
GABRA4 P48169 10/20 0.52
GABRE P78334 10/20 0.52
GABRG1 Q8N1C3 10/20 0.52
GABRG3 Q99928 10/20 0.52
GABRQ Q9UN88 10/20 0.52
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 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
SCHEMBL9835381 0.88 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8908696 0.87 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10768858 0.87 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10769712 0.86 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10767958 0.85 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9199734 0.85 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9535751 0.84 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9687526 0.84 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9840009 0.84 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9689405 0.84 GABRA1 (0.54) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557497-A1 NEW $g(b)-CARBOLIN DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-09-01 EP disclosed
EP-0234173-B1 PHENOXY-SUBSTITUTED BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-06-16 EP disclosed
WO-1993006100-A1 NEW β-CARBOLIN DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-01 WO disclosed
EP-0237467-B1 HETEROARYL-OXY-BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-10-28 EP disclosed
EP-0505017-A2 Selective phenylation of 5-hydroxy-beta-carbolin-derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1992-09-23 EP disclosed
EP-0234173-A2 Phenoxy-substituted beta-carboline derivatives, their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1987-09-02 EP disclosed