SCHEMBL3655290

SCHEMBL3655290

CS(=O)(=O)N(c1ccc(F)c(C(=O)NCCC(N)=O)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RIPK1 Q13546 1/20 0.35
EPHX2 P34913 2/20 0.35
SCN9A Q15858 4/20 0.34
SCN7A Q01118 1/20 0.34
SCN5A Q14524 1/20 0.34
LMNA P02545 2/20 0.34
MALT1 Q9UDY8 1/20 0.34
DDR1 Q08345 1/20 0.34
P2RX7 Q99572 1/20 0.33
TP53 P04637 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SLC6A9 P48067 1/20 0.32
CACNA1G O43497 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
SCHEMBL3662128 0.91 TSHR (0.35) TSHRHTTL3MBTL1RIPK1EPHX2
SCHEMBL3655106 0.86 F2 (0.38) RIPK1EPHX2MALT1DDR1TP53
SCHEMBL977615 0.86 ALOX5 (0.39) L3MBTL1EPHX2LMNAMALT1CACNA1G
SCHEMBL977174 0.85 SCN9A (0.35) SCN9ASCN7ASCN5ALMNATP53
SCHEMBL976850 0.84 SCN9A (0.34) SCN9ASCN7ASCN5ALMNADDR1
SCHEMBL3656172 0.83 F2 (0.46) EPHX2LMNAMALT1TP53SLC6A9
SCHEMBL977991 0.83 TRPA1 (0.37) SCN9ASCN7ASCN5ALMNATP53
SCHEMBL977176 0.83 SLC6A9 (0.38) SCN9ASCN7ASCN5ALMNASLC6A9
SCHEMBL3659731 0.83 F2 (0.38) MALT1DDR1
SCHEMBL978426 0.82 ALDH1A1 (0.39) TSHRSCN9ASCN7ASCN5ALMNA

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