SCHEMBL7523407

SCHEMBL7523407

N=C(N)NCCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC(Cc1ccccc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 14/20 0.51
NPY1R P25929 8/20 0.51
NPY5R Q15761 8/20 0.51
NPY2R P49146 5/20 0.51
KISS1R Q969F8 2/20 0.48
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
QRFPR Q96P65 1/20 0.47
CAPN1 P07384 1/20 0.46
CTSB P07858 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL7531923 0.95 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7525098 0.86 KISS1R (0.54) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7535309 0.86 KISS1R (0.54) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7531488 0.86 KISS1R (0.52) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7528463 0.84 KISS1R (0.52) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL7530557 0.84 KISS1R (0.52) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL13563450 0.83 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL3356923 0.83 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL3356931 0.83 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30045851 0.83 KISS1R (0.61) NPY4RNPY1RNPY5RNPY2RKISS1R

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