SCHEMBL7314462

SCHEMBL7314462

COc1cc(C)cc(OC)c1C1=NCC(=O)N(C)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 11/20 0.59
GABRA5 P31644 11/20 0.59
GABRA2 P47869 10/20 0.59
GABRA3 P34903 10/20 0.59
GABRG2 P18507 9/20 0.59
GABRB3 P28472 9/20 0.59
GABRB2 P47870 8/20 0.59
CCKBR P32239 2/20 0.59
GABRP O00591 2/20 0.48
GABRD O14764 2/20 0.48
GABRB1 P18505 2/20 0.48
GABRA4 P48169 2/20 0.48
GABRE P78334 2/20 0.48
GABRA6 Q16445 2/20 0.48
GABRG1 Q8N1C3 2/20 0.48
GABRG3 Q99928 2/20 0.48
GABRQ Q9UN88 2/20 0.48
OPRK1 P41145 2/20 0.46
CACNA1F O60840 1/20 0.46
ALB P02768 1/20 0.46

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
SCHEMBL7312497 0.90 GABRA1 (0.59) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL7315138 0.86 GABRA1 (0.54) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL5485857 0.78 PDE2A (0.54) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL7306102 0.76 GABRP (0.60) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL5489050 0.75 PDE2A (0.58) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL8360460 0.75 GABRA1 (0.71) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL877728 0.74 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL30175096 0.74 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL5042656 0.73 GABRA1 (0.58) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL13501739 0.72 GABRA1 (0.61) GABRA1GABRA5GABRA2GABRA3GABRG2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5798353-A Polysubstituted 3-acylamino-5-phenyl-1,4-benzodiazepin-2-one derivatives, process for their preparation and the pharmaceutical compositions containing them SANOFI (FR) 1998-08-25 US disclosed
US-5719143-A Polysubstituted 3-acylamino-5-phenyl-1, 4-benzodiazepin-2-one derivatives, process for their preparation and the pharmaceutical compositions containing them SANOFI (FR) 1998-02-17 US disclosed
EP-0667344-A1 3-acylamino-5-(polysubstituted phenyl)-1,4-benzodiazepin-2-ones useful as CCK-receptor agonists SANOFI (FR) 1995-08-16 EP disclosed