SCHEMBL23977724

SCHEMBL23977724

CCCC[C@@H](NC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 11/20 0.50
▸ NPY1R P25929 6/20 0.50
▸ NPY2R P49146 4/20 0.50
▸ NPY5R Q15761 4/20 0.50
▸ KISS1R Q969F8 6/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ KLKB1 P03952 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
SCHEMBL17132197 1.00 NPY4R (0.50) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL19249630 1.00 NPY4R (0.50) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL18413061 1.00 NPY4R (0.50) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL4451321 1.00 NPY4R (0.50) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL29372181 0.86 NPY1R (0.54) NPY4RNPY1RNPY2RNPY5R
SCHEMBL23977925 0.85 MMP9 (0.48) KISS1ROPRD1MMP9MMP8KLKB1
SCHEMBL4451327 0.84 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL29652154 0.82 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL29652137 0.82 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL23142771 0.82 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5RKISS1R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021222886-A1 COMPOSITIONS AND METHODS TO TREAT POLYCYSTIC KIDNEY DISEASE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2021-11-04 — — WO disclosed
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