SCHEMBL9534368

SCHEMBL9534368

COCc1c(OC(=O)OC(C)(C)C)ncc2[nH]c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 11/20 0.41
GABRG2 P18507 11/20 0.41
GABRB3 P28472 11/20 0.41
GABRA5 P31644 11/20 0.41
GABRA3 P34903 11/20 0.41
GABRA2 P47869 10/20 0.41
GABRP O00591 8/20 0.41
GABRD O14764 8/20 0.41
GABRB1 P18505 8/20 0.41
GABRB2 P47870 8/20 0.41
GABRA4 P48169 8/20 0.41
GABRE P78334 8/20 0.41
GABRA6 Q16445 8/20 0.41
GABRG1 Q8N1C3 8/20 0.41
GABRG3 Q99928 8/20 0.41
GABRQ Q9UN88 8/20 0.41
MAPT P10636 4/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 3/20 0.33

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
SCHEMBL9537706 0.90 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9537403 0.89 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9535524 0.89 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8802622 0.89 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9538867 0.88 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10388960 0.87 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9538939 0.85 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9537699 0.82 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9533037 0.82 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9838091 0.81 GABRA1 (0.62) 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 1 patent. 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