SCHEMBL10707136

SCHEMBL10707136

CCOC(=O)c1cc2c(cn1)[nH]c1ccc(C#CCO)cc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 15/20 0.77
GABRG2 P18507 15/20 0.77
GABRB3 P28472 15/20 0.77
GABRA3 P34903 15/20 0.77
GABRA2 P47869 15/20 0.77
GABRA5 P31644 14/20 0.77
GABRA4 P48169 12/20 0.77
GABRA6 Q16445 12/20 0.77
GABRP O00591 5/20 0.65
GABRD O14764 5/20 0.65
GABRB1 P18505 5/20 0.65
GABRB2 P47870 5/20 0.65
GABRE P78334 5/20 0.65
GABRG1 Q8N1C3 5/20 0.65
GABRG3 Q99928 5/20 0.65
GABRQ Q9UN88 5/20 0.65
ALDH1A1 P00352 3/20 0.65
MAPT P10636 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
KDM4E B2RXH2 2/20 0.65

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
SCHEMBL10707662 0.90 GABRA1 (0.76) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10708806 0.89 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10708804 0.89 GABRA1 (0.73) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10709059 0.88 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9075631 0.87 GABRA1 (0.77) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL11288083 0.87 GABRA1 (0.77) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7380799 0.85 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10705765 0.82 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10740909 0.81 GABRA1 (0.77) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7382523 0.80 GABRA1 (0.76) GABRA1GABRG2GABRB3GABRA3GABRA2

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-0054507-B1 3-SUBSTITUTED BETA-CARBOLINES, PROCESS FOR THEIR PRODUCTION AND COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1988-02-17 EP disclosed