SCHEMBL9835964

SCHEMBL9835964

CCOC(=O)Oc1cc2c(cn1)[nH]c1ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 14/20 0.67
GABRG2 P18507 14/20 0.67
GABRB3 P28472 14/20 0.67
GABRA5 P31644 14/20 0.67
GABRA3 P34903 14/20 0.67
GABRA2 P47869 14/20 0.67
GABRA6 Q16445 14/20 0.67
GABRP O00591 13/20 0.67
GABRD O14764 13/20 0.67
GABRB1 P18505 13/20 0.67
GABRB2 P47870 13/20 0.67
GABRA4 P48169 13/20 0.67
GABRE P78334 13/20 0.67
GABRG1 Q8N1C3 13/20 0.67
GABRG3 Q99928 13/20 0.67
GABRQ Q9UN88 13/20 0.67
ALDH1A1 P00352 4/20 0.66
MAPT P10636 4/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
KDM4E B2RXH2 3/20 0.66

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
SCHEMBL7502529 0.85 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9840075 0.85 ALDH1A1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9534278 0.85 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9527683 0.84 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10767510 0.84 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10770308 0.84 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27905853 0.83 GABRP (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9836444 0.82 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9840082 0.82 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10377163 0.82 GABRA1 (0.46) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161575-B1 B-CARBOLINE-3-CARBOXYLIC ACID DERIVATIVES, METHOD OF PREPARING THE SAME AND THEIR USE SCHERING AKTIENGESELLSCHAFT (DE) 1990-06-13 EP claimed
EP-0030254-B1 BETA-CARBOLIN-3-CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR THERAPEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 1984-10-31 EP claimed
EP-0217737-B1 TETRAHYDRO-BETA-CARBOLINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1991-08-14 EP disclosed
EP-0239667-B1 5-OR 6-SUBSTITUTED BETA-CARBOLINE-3-CARBOXYLIC-ACID ESTERS SCHERING AKTIENGESELLSCHAFT (DE) 1991-05-02 EP disclosed
EP-0222693-B1 3-OXADIAZOLYL AND 3-CARBOXYLIC-ACID BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1991-04-17 EP disclosed
EP-0110814-B1 BETA-CARBOLINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1989-12-13 EP disclosed
EP-0111090-B1 INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USES IN FURTHER PROCESSING SCHERING AKTIENGESELLSCHAFT (DE) 1987-03-18 EP disclosed
US-4596808-A Nervous system disorders SCHERING AKTIENGESELLSCHAFT (DE) 1986-06-24 US disclosed
EP-0111090-A1 Indole derivatives, process for their preparation and their uses in further processing SCHERING AKTIENGESELLSCHAFT (DE) 1984-06-20 EP disclosed