SCHEMBL7534730

SCHEMBL7534730

N=C(N)NCCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 2/20 0.51
NPY4R P50391 12/20 0.51
NPY1R P25929 8/20 0.51
NPY5R Q15761 8/20 0.51
NPY2R P49146 5/20 0.51
F2 P00734 2/20 0.48
TMPRSS6 Q8IU80 2/20 0.48
KISS1R Q969F8 2/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47

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
SCHEMBL2921577 0.95 MMP2 (0.55) BMP1NPY4RNPY1RNPY5RNPY2R
SCHEMBL2922115 0.93 NPY4R (0.49) BMP1NPY4RNPY1RNPY5RNPY2R
SCHEMBL7116210 0.90 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL2928771 0.90 F2 (0.53) BMP1NPY4RNPY1RNPY5RNPY2R
SCHEMBL7125358 0.88 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2RF2
SCHEMBL4642667 0.87 NPY5R (0.52) NPY4RNPY1RNPY5RNPY2RF2
SCHEMBL2928319 0.86 MMP2 (0.53) BMP1MMP2MMP9
SCHEMBL2922269 0.84 NPY4R (0.47) BMP1NPY4RNPY1RNPY5RNPY2R
SCHEMBL7116399 0.84 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7111184 0.84 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RF2

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
WO-2002024192-A1 DIPEPTIDE LIGANDS OF THE NPFF RECEPTOR FOR TREATING PAIN AND HYPERALGESIA INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2002-03-28 WO claimed
WO-2002024192-A1 DIPEPTIDE LIGANDS OF THE NPFF RECEPTOR FOR TREATING PAIN AND HYPERALGESIA INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2002-03-28 WO disclosed