SCHEMBL7528463

SCHEMBL7528463

N=C(N)NCCC[C@H](NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 0.52
HPGDS O60760 1/20 0.52
CTSV O60911 2/20 0.51
CTSL P07711 2/20 0.51
CTSB P07858 2/20 0.51
CTSS P25774 2/20 0.51
CTSK P43235 2/20 0.51
NPY4R P50391 8/20 0.51
NPY5R Q15761 7/20 0.51
NPY1R P25929 6/20 0.51
NPY2R P49146 4/20 0.51

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
SCHEMBL7530557 1.00 KISS1R (0.52) KISS1RHPGDSCTSVCTSLCTSB
SCHEMBL7525098 0.90 KISS1R (0.54) KISS1RHPGDSCTSLNPY4RNPY5R
SCHEMBL7535309 0.90 KISS1R (0.54) KISS1RHPGDSCTSLNPY4RNPY5R
SCHEMBL7531488 0.89 KISS1R (0.52) KISS1RHPGDSCTSBNPY4RNPY5R
SCHEMBL24179840 0.84 KISS1R (0.56) KISS1RCTSLCTSSCTSKNPY4R
SCHEMBL7529600 0.84 KISS1R (0.56) KISS1RHPGDSNPY4RNPY5RNPY1R
SCHEMBL7523407 0.84 NPY4R (0.51) KISS1RCTSBNPY4RNPY5RNPY1R
SCHEMBL7535795 0.82 NPY4R (0.59) CTSLNPY4RNPY5RNPY1RNPY2R
SCHEMBL30064048 0.82 NPY4R (0.59) NPY4RNPY5RNPY1RNPY2R
SCHEMBL7532875 0.81 KISS1R (0.54) KISS1RNPY4RNPY5RNPY1RNPY2R

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