SCHEMBL7474404

SCHEMBL7474404

CN1C(=O)CN=C(c2cccc(F)c2)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 11/20 0.73
GABRA5 P31644 11/20 0.73
GABRA2 P47869 11/20 0.73
GABRA3 P34903 10/20 0.73
GABRG2 P18507 9/20 0.73
GABRB3 P28472 9/20 0.73
GABRB2 P47870 8/20 0.73
CCKBR P32239 2/20 0.73
OPRK1 P41145 2/20 0.57
GABRP O00591 2/20 0.57
GABRD O14764 2/20 0.57
GABRB1 P18505 2/20 0.57
GABRA4 P48169 2/20 0.57
GABRE P78334 2/20 0.57
GABRA6 Q16445 2/20 0.57
GABRG1 Q8N1C3 2/20 0.57
GABRG3 Q99928 2/20 0.57
GABRQ Q9UN88 2/20 0.57
CACNA1F O60840 1/20 0.57
ALB P02768 1/20 0.57

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
SCHEMBL5353127 0.87 GABRA1 (0.82) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL9238180 0.85 GABRA1 (0.79) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL877728 0.85 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL30175096 0.85 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL11612769 0.84 GABRA1 (0.68) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL4817228 0.83 GABRA1 (0.73) GABRA1GABRA5GABRA2GABRA3GABRG2
Ro-054520 SCHEMBL11858895 0.80 GABRA1 (0.70) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL5038185 0.78 GABRA1 (0.68) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL14212131 0.77 GABRA1 (0.79) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL27567875 0.77 GABRA1 (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0951466-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-10-27 EP disclosed
WO-1998028268-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS AS β-AMYLOID PEPTIDE RELEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 1998-07-02 WO disclosed