SCHEMBL3661726

SCHEMBL3661726

CNC(=O)CCNC(=O)c1cccc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
POLB P06746 1/20 0.37
F2 P00734 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX5 P09917 1/20 0.35
EPHX2 P34913 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNA1C Q13936 1/20 0.35
DHODH Q02127 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL977202 0.92 CCR2 (0.39) CCR2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3654201 0.91 F2 (0.39) CCR2DRD2DRD3POLBF2
SCHEMBL977615 0.91 ALOX5 (0.39) CCR2DRD2DRD3POLBF2
SCHEMBL3408675 0.90 DRD2 (0.40) DRD2DRD3POLBF2L3MBTL1
SCHEMBL3659526 0.89 F2 (0.46) CCR2DRD2DRD3POLBF2
Hydrochloric Acid SCHEMBL6519318 0.89 DRD2 (0.39) DRD2DRD3F2L3MBTL1ALOX5
SCHEMBL3662481 0.89 F2 (0.37) CCR2DRD2DRD3POLBF2
SCHEMBL3406225 0.88 SCN9A (0.41) DRD2DRD3L3MBTL1ALOX5EPHX2
SCHEMBL3660828 0.87 RHOC (0.47) CCR2F2
SCHEMBL3658255 0.86 F2 (0.36) CCR2DRD2DRD3F2ALOX5

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