SCHEMBL9537464

SCHEMBL9537464

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 13/20 0.64
GABRD O14764 13/20 0.64
GABRA1 P14867 13/20 0.64
GABRB1 P18505 13/20 0.64
GABRG2 P18507 13/20 0.64
GABRB3 P28472 13/20 0.64
GABRA5 P31644 13/20 0.64
GABRA3 P34903 13/20 0.64
GABRA2 P47869 13/20 0.64
GABRB2 P47870 13/20 0.64
GABRA4 P48169 13/20 0.64
GABRE P78334 13/20 0.64
GABRA6 Q16445 13/20 0.64
GABRG1 Q8N1C3 13/20 0.64
GABRG3 Q99928 13/20 0.64
GABRQ Q9UN88 13/20 0.64
KMT2A Q03164 1/20 0.62
KDM4E B2RXH2 1/20 0.57
PDE5A O76074 1/20 0.57
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL27905853 0.87 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9536124 0.84 GABRA1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25290088 0.83 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9836444 0.81 GABRA1 (0.66) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9835964 0.81 GABRA1 (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2216289 0.79 GABRP (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9839951 0.79 GABRA1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10646617 0.78 GABRA1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29381558 0.77 GABRA1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1180278 0.77 GABRA1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2

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 16 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-0130141-B1 BETA-CARBOLINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1990-09-12 EP claimed
EP-0239667-A1 5-or 6-Substituted beta-carboline-3-carboxylic-acid esters SCHERING AKTIENGESELLSCHAFT (DE) 1987-10-07 EP claimed
EP-0234173-B1 PHENOXY-SUBSTITUTED BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-06-16 EP disclosed
EP-0237467-B1 HETEROARYL-OXY-BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-10-28 EP disclosed
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-0130141-B1 BETA-CARBOLINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1990-09-12 EP disclosed
EP-0137390-B1 SUBSTITUTED BETA-CARBOLINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1990-08-16 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-0239667-A1 5-or 6-Substituted beta-carboline-3-carboxylic-acid esters SCHERING AKTIENGESELLSCHAFT (DE) 1987-10-07 EP disclosed
EP-0239667-A1 5-or 6-Substituted beta-carboline-3-carboxylic-acid esters SCHERING AKTIENGESELLSCHAFT (DE) 1987-10-07 EP disclosed
EP-0237467-A2 Heteroaryl-oxy-beta-carboline derivatives, their preparation and use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1987-09-16 EP disclosed
US-4596808-A Nervous system disorders SCHERING AKTIENGESELLSCHAFT (DE) 1986-06-24 US disclosed
EP-0110814-A2 Beta-carbolines, process for their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1984-06-13 EP disclosed