SCHEMBL3661828

SCHEMBL3661828

CS(=O)(=O)N(c1cc(F)cc(C(=O)NC[C@H](O)C(N)=O)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.37
TP53 P04637 5/20 0.37
DDR1 Q08345 2/20 0.34
P2RX7 Q99572 2/20 0.33
RIPK1 Q13546 1/20 0.33
LMNA P02545 1/20 0.32
PRMT5 O14744 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
THRB P10828 1/20 0.32
GRIA2 P42262 1/20 0.32
SLC6A9 P48067 1/20 0.32
BACE1 P56817 1/20 0.31
GPR139 Q6DWJ6 1/20 0.31

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
SCHEMBL3660207 0.93 F2 (0.39) F2TP53DDR1P2RX7LMNA
SCHEMBL3401787 0.91 F2 (0.39) F2TP53DDR1P2RX7RIPK1
SCHEMBL3653841 0.90 F2 (0.37) F2TP53DDR1P2RX7LMNA
SCHEMBL3406126 0.89 F2 (0.38) F2TP53DDR1P2RX7RIPK1
SCHEMBL976717 0.89 F2 (0.39) F2TP53DDR1RIPK1HRH3
SCHEMBL3656663 0.89 F2 (0.37) F2TP53DDR1P2RX7LMNA
SCHEMBL3406663 0.89 DDR1 (0.38) F2TP53DDR1P2RX7RIPK1
SCHEMBL3661019 0.89 MEN1 (0.38) F2TP53P2RX7LMNAPRMT5
SCHEMBL3655106 0.88 F2 (0.38) F2TP53DDR1RIPK1HRH3
SCHEMBL977990 0.87 F2 (0.37) F2TP53DDR1RIPK1

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-2234966-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY Sanofi-Aventis (FR) 2010-10-06 EP claimed
WO-2009106708-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2009-09-03 WO claimed