SCHEMBL11142020

SCHEMBL11142020

CCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCNC(=N)N

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 14/20 0.54
NPY5R Q15761 8/20 0.54
NPY1R P25929 8/20 0.54
NPY2R P49146 5/20 0.54
PLA2G10 O15496 2/20 0.46
KISS1R Q969F8 1/20 0.43
NOD1 Q9Y239 1/20 0.41
CTSK P43235 1/20 0.41

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
Hydrochloric Acid SCHEMBL11137889 0.99 NPY4R (0.54) NPY4RNPY5RNPY1RNPY2RPLA2G10
Hydrochloric Acid SCHEMBL11146280 0.92 NPY4R (0.49) NPY4RNPY5RNPY1RNPY2RCTSK
SCHEMBL6674182 0.87 NPY4R (0.54) NPY4RNPY5RNPY1RNPY2R
SCHEMBL7379299 0.87 CTSK (0.52) PLA2G10NOD1CTSK
SCHEMBL20751494 0.87 FAAH (0.44) NPY4RNPY5RNPY1RNPY2RPLA2G10
SCHEMBL7335399 0.87 CTSK (0.52) PLA2G10NOD1CTSK
SCHEMBL16509027 0.86 NPY4R (0.52) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL7335291 0.86 CTSK (0.53) PLA2G10NOD1CTSK
SCHEMBL3059817 0.85 NPY4R (0.69) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL29640340 0.85 NPY4R (0.61) NPY4RNPY5RNPY1RNPY2RPLA2G10

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
US-4401594-A PROTEOLYTIC ENZYME INHIBIJTORS; CARDIOVASCULAR AND MUSCULAR DISORDERS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-08-30 US claimed