SCHEMBL4610431

SCHEMBL4610431

CN1C(=O)CN=C1c1cccc(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.50
GABRG2 P18507 7/20 0.50
GABRB3 P28472 7/20 0.50
GABRA5 P31644 7/20 0.50
GABRA3 P34903 7/20 0.50
GABRA2 P47869 7/20 0.50
GABRB2 P47870 5/20 0.50
CCKBR P32239 1/20 0.50
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47
GABRB1 P18505 2/20 0.47
GABRA4 P48169 2/20 0.47
GABRE P78334 2/20 0.47
GABRA6 Q16445 2/20 0.47
GABRG1 Q8N1C3 2/20 0.47
GABRG3 Q99928 2/20 0.47
GABRQ Q9UN88 2/20 0.47
CACNA1F O60840 1/20 0.47
ALB P02768 1/20 0.47
OPRK1 P41145 1/20 0.47

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
SCHEMBL21036817 0.88 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5353127 0.77 GABRA1 (0.82) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5369586 0.73 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5496998 0.71 PDE2A (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5038948 0.71 GABRA1 (0.63) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4566026 0.70 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4789222 0.67 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL877728 0.67 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
Biphenyl SCHEMBL11687528 0.65 ALDH1A1 (0.69) NISCHALDH1A1MGLL
SCHEMBL2401076 0.65 ALDH1A1 (0.69) NISCHALDH1A1MGLL

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-1966185-A2 2-AMINO-5-PIPERIDINYLIMIDAZOLONE COMPOUNDS AND USE THEREOF FOR ß-SECRETASE MODULATION Wyeth a Corporation of the State of Delaware (US) 2008-09-10 EP claimed
EP-1910309-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR ß-SECRETASE MODULATION Wyeth (US) 2008-04-16 EP claimed
WO-2007078813-A2 2-AMINO-5-PIPERIDINYLIMIDAZOLONE COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-07-12 WO claimed
WO-2007016012-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-02-08 WO claimed
EP-1966185-A2 2-AMINO-5-PIPERIDINYLIMIDAZOLONE COMPOUNDS AND USE THEREOF FOR ß-SECRETASE MODULATION Wyeth a Corporation of the State of Delaware (US) 2008-09-10 EP disclosed
WO-2007078813-A2 2-AMINO-5-PIPERIDINYLIMIDAZOLONE COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-07-12 WO disclosed