SCHEMBL9689307

SCHEMBL9689307

COC(=O)c1cc2c(cn1)[nH]c1ccc(Oc3ccc([N+](=O)[O-])cn3)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 13/20 0.55
GABRG2 P18507 13/20 0.55
GABRB3 P28472 13/20 0.55
GABRA5 P31644 12/20 0.55
GABRA3 P34903 12/20 0.55
GABRA2 P47869 12/20 0.55
GABRA4 P48169 6/20 0.55
GABRA6 Q16445 6/20 0.55
GABRP O00591 3/20 0.55
GABRD O14764 3/20 0.55
GABRB1 P18505 3/20 0.55
GABRB2 P47870 3/20 0.55
GABRE P78334 3/20 0.55
GABRG1 Q8N1C3 3/20 0.55
GABRG3 Q99928 3/20 0.55
GABRQ Q9UN88 3/20 0.55
UBE2N P61088 1/20 0.55
MAPT P10636 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL10388941 0.90 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9688494 0.89 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9689425 0.86 HSPB1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9688147 0.84 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10551130 0.83 BCHE (0.44) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9689663 0.81 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10389541 0.79 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3051773 0.79 XDH (0.56) MAPTNPSR1KDM4EALDH1A1LMNA
SCHEMBL7380810 0.78 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9534774 0.78 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237467-B1 HETEROARYL-OXY-BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-10-28 EP claimed
US-4960777-A Anxiolytic agents SCHERING AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
US-4877792-A ANXIOLYTIC AGENTS; ANTICONVULSANTS SCHERING AKTIENGESELLSCHAFT (DE) 1989-10-31 US disclosed