SCHEMBL7535795

SCHEMBL7535795

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 14/20 0.59
NPY5R Q15761 8/20 0.59
NPY1R P25929 8/20 0.59
NPY2R P49146 5/20 0.59
PTPN1 P18031 1/20 0.55
CTSL P07711 2/20 0.54
QRFPR Q96P65 1/20 0.52
CHRNA1 P02708 1/20 0.52
CHRNG P07510 1/20 0.52
CHRNB1 P11230 1/20 0.52
CHRND Q07001 1/20 0.52

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
SCHEMBL30064048 0.91 NPY4R (0.59) NPY4RNPY5RNPY1RNPY2RQRFPR
SCHEMBL9058352 0.89 NPY4R (0.57) NPY4RNPY5RNPY1RNPY2RQRFPR
SCHEMBL30045851 0.88 KISS1R (0.61) NPY4RNPY5RNPY1RNPY2RPTPN1
SCHEMBL13563450 0.88 NPY4R (0.64) NPY4RNPY5RNPY1RNPY2R
SCHEMBL3356931 0.88 NPY4R (0.64) NPY4RNPY5RNPY1RNPY2R
SCHEMBL3356923 0.88 NPY4R (0.64) NPY4RNPY5RNPY1RNPY2R
SCHEMBL29624352 0.87 NPY4R (0.57) NPY4RNPY5RNPY1RNPY2RCTSL
SCHEMBL13563435 0.87 KISS1R (0.62) NPY4RNPY5RNPY1RNPY2RPTPN1
SCHEMBL12792618 0.87 KISS1R (0.62) NPY4RNPY5RNPY1RNPY2RPTPN1
SCHEMBL16181287 0.85 NPY1R (0.55) NPY4RNPY5RNPY1RNPY2RCTSL

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