SCHEMBL3658255

SCHEMBL3658255

CNC(=O)CCNC(=O)c1cc(C#N)cc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.36
EPHX2 P34913 4/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2J2 P51589 1/20 0.33
ALOX5 P09917 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A9 P48067 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
RHOC P08134 1/20 0.33
RHOA P61586 1/20 0.33
CNR1 P21554 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
GCGR P47871 2/20 0.32
P2RX7 Q99572 1/20 0.32
KMT2A Q03164 1/20 0.32
DDR1 Q08345 1/20 0.32
CCR2 P41597 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
SCHEMBL3654201 0.90 F2 (0.39) F2RHOCRHOADRD2DRD3
SCHEMBL3664045 0.89 F2 (0.36) F2EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL3659526 0.89 F2 (0.46) F2RHOCRHOADRD2DRD3
SCHEMBL3662481 0.88 F2 (0.37) F2EPHX2RHOCRHOADRD2
SCHEMBL3660828 0.87 RHOC (0.47) F2RHOCRHOADDR1CCR2
SCHEMBL3661726 0.86 CCR2 (0.39) F2EPHX2ALOX5DRD2DRD3
SCHEMBL974778 0.84 CNR1 (0.33) F2SLC6A9CNR1KMT2ACCR2
SCHEMBL975565 0.83 SLC6A9 (0.36) F2SLC6A9
SCHEMBL979163 0.83 OPRD1 (0.35) F2SLC6A9CNR1
SCHEMBL977664 0.83 SLC6A9 (0.35) F2SLC6A9CNR1

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 disclosed
WO-2009106708-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2009-09-03 WO disclosed