SCHEMBL3664045

SCHEMBL3664045

CS(=O)(=O)N(c1cc(C#N)cc(C(=O)NCCCC(N)=O)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.36
EPHX2 P34913 4/20 0.36
ALOX5 P09917 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
KMT2A Q03164 1/20 0.35
DPP4 P27487 2/20 0.34
SMYD2 Q9NRG4 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2J2 P51589 1/20 0.33
RHOC P08134 2/20 0.33
RHOA P61586 2/20 0.33
CNR1 P21554 1/20 0.33
ITK Q08881 1/20 0.32
EGLN2 Q96KS0 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
SCHEMBL3658255 0.89 F2 (0.36) F2EPHX2ALOX5DRD2DRD3
SCHEMBL3660860 0.88 F2 (0.37) F2DRD2DRD3KMT2ARHOC
SCHEMBL977990 0.88 F2 (0.37) F2DRD2DRD3KMT2ARHOC
SCHEMBL976394 0.85 CA1 (0.35) F2CYP2C9CNR1
SCHEMBL977232 0.85 CNR1 (0.34) F2EPHX2ALOX5CNR1
SCHEMBL3656172 0.85 F2 (0.46) F2EPHX2ALOX5DRD2DRD3
SCHEMBL976411 0.85 IDO1 (0.34) F2CYP2C9CNR1
SCHEMBL3655265 0.84 MEN1 (0.38) F2DRD2DRD3KMT2ACACNA1G
SCHEMBL3659731 0.84 F2 (0.38) F2DRD2DRD3KMT2A
SCHEMBL3655106 0.84 F2 (0.38) F2EPHX2DRD2DRD3KMT2A

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