SCHEMBL8933539

SCHEMBL8933539

CC(=O)c1ccc2c(c1)C(c1ccccc1)=NCc1ncc(C)n1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.47
GABRA5 P31644 8/20 0.47
GABRA2 P47869 8/20 0.47
GABRB2 P47870 6/20 0.47
GABRA3 P34903 6/20 0.47
OPRK1 P41145 4/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.47
BRD4 O60885 1/20 0.47
CNR1 P21554 1/20 0.47
GABRG2 P18507 5/20 0.40
GABRB3 P28472 5/20 0.40
GABRA4 P48169 2/20 0.40
GABRA6 Q16445 2/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
CACNA1F O60840 1/20 0.40
ALB P02768 1/20 0.40
GABRB1 P18505 1/20 0.40
AKR1C3 P42330 1/20 0.40

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
Hydrochloric Acid SCHEMBL8933498 0.99 GABRA1 (0.47) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL8933501 0.86 PTAFR (0.50) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL10693964 0.84 GABRA1 (0.54) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL7308071 0.83 OPRK1 (0.52) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL11809246 0.82 OPRK1 (0.69) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL11832211 0.82 GABRA5 (0.51) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL11826946 0.82 GABRA1 (0.69) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL9651540 0.80 GABRA1 (0.52) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL11835751 0.80 GABRA1 (0.49) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL10691138 0.80 GABRA1 (0.49) GABRA1GABRA5GABRA2GABRB2GABRA3

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
WO-1996023790-A1 ACETYLIMIDAZOBENZODIAZEPINES F. HOFFMANN-LA ROCHE AG (CH) 1996-08-08 WO disclosed