SCHEMBL9538548

SCHEMBL9538548

Cc1c(OC(=O)OC(C)C)ncc2[nH]c3cccc(Oc4ccccc4)c3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.48
GABRG2 P18507 7/20 0.48
GABRB3 P28472 7/20 0.48
GABRA5 P31644 7/20 0.48
GABRA3 P34903 7/20 0.48
GABRA2 P47869 7/20 0.48
GABRA4 P48169 7/20 0.48
GABRA6 Q16445 7/20 0.48
GABRP O00591 6/20 0.48
GABRD O14764 6/20 0.48
GABRB1 P18505 6/20 0.48
GABRB2 P47870 6/20 0.48
GABRE P78334 6/20 0.48
GABRG1 Q8N1C3 6/20 0.48
GABRG3 Q99928 6/20 0.48
GABRQ Q9UN88 6/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL9534637 0.91 GABRP (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9538421 0.88 KMT2A (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9534829 0.87 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8802542 0.86 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9535667 0.86 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9689511 0.84 GABRP (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10389356 0.84 GABRA1 (0.63) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9840586 0.80 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9534965 0.78 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9534676 0.78 GABRA1 (0.49) 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 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