SCHEMBL7698207

SCHEMBL7698207

COc1ccc(N)c(C(=O)NC(=O)[C@@H](N)CCCCN)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 10/20 0.46
ERAP1 Q9NZ08 3/20 0.46
LNPEP Q9UIQ6 8/20 0.44
LTA4H P09960 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
NOS2 P35228 1/20 0.40
TERT O14746 2/20 0.40

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
SCHEMBL21218948 0.79 MMP2 (0.49) ERAP2ERAP1LNPEPLTA4HMMP2
SCHEMBL7698452 0.76 NOS2 (0.48) NOS2
SCHEMBL6510267 0.72 LTA4H (0.39) LTA4HMMP2MMP9
SCHEMBL9277060 0.71 HTT (0.52) MMP2MMP9
SCHEMBL9277064 0.71 HTT (0.52) MMP2MMP9
SCHEMBL1558756 0.71 BRAF (0.65) NOS2
SCHEMBL8199077 0.71 BRAF (0.51) NOS2
SCHEMBL6394247 0.71 BRAF (0.51) NOS2
SCHEMBL13753817 0.70 HPGD (0.52) NOS2
SCHEMBL7293578 0.69 MMP2 (0.56) ERAP2ERAP1LNPEPLTA4HMMP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002028829-A2 PEPTIDE DEFORMYLASE INHIBITORS QUESTCOR PHARMACEUTICALS, INC. (US) 2002-04-11 WO claimed