SCHEMBL7532875

SCHEMBL7532875

COc1ccc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 0.54
NPY4R P50391 13/20 0.51
NPY1R P25929 9/20 0.51
NPY5R Q15761 8/20 0.51
NPY2R P49146 5/20 0.51
CA2 P00918 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 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
SCHEMBL7529600 0.90 KISS1R (0.56) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL7535309 0.88 KISS1R (0.54) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL7525098 0.88 KISS1R (0.54) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL7532236 0.84 KISS1R (0.51) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL24179840 0.84 KISS1R (0.56) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL1660331 0.83 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RPTPN2
SCHEMBL7531488 0.83 KISS1R (0.52) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL7115453 0.83 BMP1 (0.55) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL30045851 0.83 KISS1R (0.61) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL7535795 0.82 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RPTPN1

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