SCHEMBL9532973

SCHEMBL9532973

COCc1c(-c2nc(C3CC3)no2)ncc2[nH]c3ccc(Oc4ccc(S(=O)(=O)NN5CCOCC5)cc4)cc3c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 10/20 0.35
GABRG2 P18507 10/20 0.35
GABRB3 P28472 10/20 0.35
GABRA5 P31644 10/20 0.35
GABRA3 P34903 10/20 0.35
GABRA2 P47869 8/20 0.35
GABRP O00591 4/20 0.35
GABRD O14764 4/20 0.35
GABRB1 P18505 4/20 0.35
GABRB2 P47870 4/20 0.35
GABRA4 P48169 4/20 0.35
GABRE P78334 4/20 0.35
GABRA6 Q16445 4/20 0.35
GABRG1 Q8N1C3 4/20 0.35
GABRG3 Q99928 4/20 0.35
GABRQ Q9UN88 4/20 0.35
ERBB2 P04626 2/20 0.33
PTK6 Q13882 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 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
SCHEMBL9533975 0.90 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9534904 0.82 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9536157 0.82 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9532932 0.81 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9532942 0.79 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10389301 0.78 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9536435 0.77 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9536064 0.77 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9534874 0.76 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9535662 0.73 GABRA1 (0.42) 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 6 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
US-4945090-A ANXIOLYTIC AGENTS, ANTICONVULSANTS SCHERING AKTIENGESELLSCHAFT (DE) 1990-07-31 US 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
US-4945090-A ANXIOLYTIC AGENTS, ANTICONVULSANTS SCHERING AKTIENGESELLSCHAFT (DE) 1990-07-31 US disclosed
EP-0234173-A2 Phenoxy-substituted beta-carboline derivatives, their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1987-09-02 EP disclosed