SCHEMBL9533380

SCHEMBL9533380

CCOC(=O)Oc1ncc2[nH]c3cccc(Oc4ccc(Cl)cc4)c3c2c1COC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 14/20 0.51
GABRG2 P18507 14/20 0.51
GABRB3 P28472 14/20 0.51
GABRA5 P31644 14/20 0.51
GABRA3 P34903 14/20 0.51
GABRA2 P47869 12/20 0.51
GABRP O00591 8/20 0.51
GABRD O14764 8/20 0.51
GABRB1 P18505 8/20 0.51
GABRB2 P47870 8/20 0.51
GABRA4 P48169 8/20 0.51
GABRE P78334 8/20 0.51
GABRA6 Q16445 8/20 0.51
GABRG1 Q8N1C3 8/20 0.51
GABRG3 Q99928 8/20 0.51
GABRQ Q9UN88 8/20 0.51
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL9535751 0.92 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9535025 0.91 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9536626 0.91 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9535060 0.90 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9537282 0.90 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9688108 0.90 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9537654 0.90 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9537363 0.89 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9536947 0.89 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8906940 0.89 GABRA1 (0.43) 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 4 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 claimed
EP-0234173-A2 Phenoxy-substituted beta-carboline derivatives, their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1987-09-02 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-0234173-A2 Phenoxy-substituted beta-carboline derivatives, their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1987-09-02 EP disclosed