SCHEMBL3659285

SCHEMBL3659285

C[C@@H](CCNC(=O)c1cccc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1)CC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.40
EPHX2 P34913 6/20 0.40
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
F2 P00734 2/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
RIPK1 Q13546 2/20 0.34
CACNA2D1 P54289 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNB1 Q02641 1/20 0.33
CACNA1C Q13936 1/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL977615 0.90 ALOX5 (0.39) ALOX5EPHX2DRD2DRD3F2
SCHEMBL975805 0.90 CACNA2D1 (0.38) ALOX5EPHX2DRD2DRD3F2
SCHEMBL3408675 0.88 DRD2 (0.40) ALOX5EPHX2DRD2DRD3F2
Hydrochloric Acid SCHEMBL6519318 0.87 DRD2 (0.39) ALOX5EPHX2DRD2DRD3F2
SCHEMBL3406225 0.86 SCN9A (0.41) ALOX5EPHX2DRD2DRD3MEN1
SCHEMBL979308 0.86 CACNA2D1 (0.41) DRD2DRD3F2CTSDBACE1
SCHEMBL3405538 0.85 CTSD (0.39) ALOX5EPHX2DRD2DRD3F2
SCHEMBL3661726 0.85 CCR2 (0.39) ALOX5EPHX2DRD2DRD3F2
SCHEMBL3661019 0.85 MEN1 (0.38) ALOX5EPHX2DRD2DRD3F2
SCHEMBL977202 0.84 CCR2 (0.39) CACNA2D1CACNA1BCACNB1CACNA1CMEN1

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