SCHEMBL4861466

SCHEMBL4861466

O=C(NCCCCc1ccccc1)[C@H](Cc1cc[c]cc1)NS(=O)(=O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.47
PTAFR P25105 4/20 0.45
EPHX2 P34913 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
NAMPT P43490 7/20 0.43
TBXAS1 P24557 1/20 0.42
ITGAV P06756 1/20 0.42

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
SCHEMBL4861471 1.00 NPY5R (0.47) NPY5RPTAFREPHX2MMP2MMP9
SCHEMBL4857259 0.84 NPY5R (0.62) NPY5RMMP2MMP9
SCHEMBL4858174 0.84 MMP2 (0.56) NPY5RMMP2MMP9
SCHEMBL4857262 0.84 NPY5R (0.62) NPY5RMMP2MMP9
SCHEMBL4858181 0.84 MMP2 (0.56) NPY5RMMP2MMP9
SCHEMBL3735521 0.84 PTAFR (0.44) NPY5RPTAFREPHX2NAMPTTBXAS1
SCHEMBL3735516 0.84 PTAFR (0.44) NPY5RPTAFREPHX2NAMPTTBXAS1
SCHEMBL4863198 0.83 KMT2A (0.44) NPY5RMMP2MMP9
SCHEMBL4863204 0.83 KMT2A (0.44) NPY5RMMP2MMP9
SCHEMBL4865492 0.83 NPY5R (0.45) NPY5RMMP2MMP9ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008520575-A 2008-06-19 JP claimed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP claimed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO claimed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP disclosed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO disclosed