SCHEMBL9536896

SCHEMBL9536896

COC(=O)Oc1cc2c(cn1)[nH]c1ccc(Oc3ccc([N+](=O)[O-])cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRG2 P18507 4/20 0.46
GABRB3 P28472 4/20 0.46
GABRA5 P31644 4/20 0.46
GABRA2 P47869 4/20 0.46
CTSV O60911 2/20 0.45
CTSL P07711 2/20 0.45
FAAH O00519 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
GABRP O00591 3/20 0.39
GABRD O14764 3/20 0.39
GABRB1 P18505 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRB2 P47870 3/20 0.39
GABRA4 P48169 3/20 0.39
GABRE P78334 3/20 0.39
GABRA6 Q16445 3/20 0.39
GABRG1 Q8N1C3 3/20 0.39
GABRG3 Q99928 3/20 0.39

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
SCHEMBL9689425 0.92 HSPB1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9535731 0.89 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9534778 0.89 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL10388941 0.83 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9534774 0.80 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9687518 0.79 KDM4E (0.44) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9689307 0.78 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL11085907 0.78 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9689016 0.77 FPR2 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL10389541 0.77 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA5GABRA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234173-B1 PHENOXY-SUBSTITUTED BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-06-16 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