SCHEMBL5138581

SCHEMBL5138581

CN1C(=O)CC=C(c2ccccc2)c2ccccc21.[SnH4]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.52
GABRG2 P18507 6/20 0.52
GABRB3 P28472 6/20 0.52
GABRA5 P31644 6/20 0.52
GABRA3 P34903 6/20 0.52
GABRA2 P47869 6/20 0.52
GABRB2 P47870 5/20 0.52
CCKBR P32239 3/20 0.52
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
TTR P02766 2/20 0.42
CES1 P23141 1/20 0.42
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL6919772 0.98 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17988732 0.79 CCKBR (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5354075 0.78 MEN1 (0.51) CES1ALDH1A1HPGDMAPTOPRK1
SCHEMBL14075304 0.77 TTR (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12407900 0.74 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
Iodide SCHEMBL30847673 0.70 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30175096 0.69 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3589100 0.69 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3589097 0.69 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL877728 0.69 GABRA1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390896-B2 Cyclic malonamides as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA CORPORATION (US) 2008-06-24 US disclosed