SCHEMBL10629577

SCHEMBL10629577

CCOC(=O)c1ncc2[nH]c3cccc(C=O)c3c2c1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 16/20 0.68
GABRG2 P18507 16/20 0.68
GABRB3 P28472 16/20 0.68
GABRA5 P31644 16/20 0.68
GABRA3 P34903 16/20 0.68
GABRA2 P47869 14/20 0.68
GABRA6 Q16445 9/20 0.68
GABRP O00591 8/20 0.68
GABRD O14764 8/20 0.68
GABRB1 P18505 8/20 0.68
GABRB2 P47870 8/20 0.68
GABRA4 P48169 8/20 0.68
GABRE P78334 8/20 0.68
GABRG1 Q8N1C3 8/20 0.68
GABRG3 Q99928 8/20 0.68
GABRQ Q9UN88 8/20 0.68
MAPT P10636 4/20 0.68
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
TDP1 Q9NUW8 1/20 0.68

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
SCHEMBL10416983 0.85 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10627426 0.84 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10627428 0.84 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10625009 0.84 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10625013 0.84 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10624978 0.83 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10768659 0.82 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8908666 0.82 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10835133 0.82 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10834788 0.81 GABRA1 (0.64) 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
US-4757070-A 3-oxadiazolyl-5-aminoalkyl-beta-carboline derivatives compositions and use SCHERING AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed
US-4731365-A 5-aminoalkyl-beta-carboline derivatives, psycho tropic compositions and use SCHERING AKTIENGESELLSCHAFT (DE) 1988-03-15 US disclosed