SCHEMBL3403100

SCHEMBL3403100

CC(O)(CO)CNC(=O)c1cc(F)cc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.38
DDR1 Q08345 12/20 0.37
F2 P00734 2/20 0.37
CNR1 P21554 1/20 0.35
TP53 P04637 1/20 0.33
CACNA1H O95180 2/20 0.33
CACNA1G O43497 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32

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
SCHEMBL3403098 0.88 BACE1 (0.36) BACE1DDR1F2CACNA1HCACNA1G
SCHEMBL3406126 0.85 F2 (0.38) BACE1DDR1F2TP53
SCHEMBL3401787 0.85 F2 (0.39) BACE1DDR1F2TP53
SCHEMBL976717 0.85 F2 (0.39) DDR1F2CNR1TP53
SCHEMBL3406663 0.85 DDR1 (0.38) DDR1F2TP53
SCHEMBL3405699 0.84 BACE1 (0.41) BACE1F2
SCHEMBL6521493 0.84 F2 (0.37) BACE1DDR1F2TP53CACNA1H
SCHEMBL6525306 0.84 F2 (0.35) BACE1DDR1F2TP53CACNA1H
SCHEMBL3655106 0.84 F2 (0.38) DDR1F2TP53
SCHEMBL3401743 0.84 BACE1 (0.37) BACE1F2

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-2254862-A2 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME Sanofi-Aventis (FR) 2010-12-01 EP disclosed
WO-2009118473-A2 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-10-01 WO disclosed