SCHEMBL13804931

SCHEMBL13804931

COc1ccc(CN[C@@H](CCCN/C(N)=N/[N+](=O)[O-])C(=O)N[C@@H](CC(C)C)C(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.44
▸ KISS1R Q969F8 5/20 0.43
▸ NPY4R P50391 10/20 0.41
▸ NPY1R P25929 7/20 0.41
▸ NPY2R P49146 5/20 0.41
▸ NPY5R Q15761 5/20 0.41
▸ MMP1 P03956 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ ADAM17 P78536 1/20 0.39

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
SCHEMBL13804935 0.95 ANPEP (0.44) ANPEPKISS1RNPY4RNPY1RMMP1
SCHEMBL13805250 0.90 KISS1R (0.41) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL13804934 0.85 KISS1R (0.39) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL8119098 0.80 NPC1 (0.38) —
SCHEMBL7037362 0.78 NPY1R (0.50) NPY4RNPY1RNPY2RNPY5RGAA
SCHEMBL8114868 0.78 MC4R (0.37) KISS1RNPY1RADAM17
SCHEMBL8119391 0.78 NPY1R (0.43) NPY4RNPY1RNPY2RNPY5R
SCHEMBL8119124 0.77 F2 (0.36) KISS1RNPY1RADAM17
Hydrochloric Acid SCHEMBL8120993 0.77 NPY1R (0.42) NPY4RNPY1RNPY2RNPY5R
Hydrochloric Acid SCHEMBL7040129 0.77 CYP2C9 (0.37) KISS1RNPY4RNPY1RNPY5RADAM17

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
EP-1524962-B1 COMPOSITIONS AND METHODS FOR DARKENING THE SKIN JOHNSON & JOHNSON CONSUMER (US) 2009-06-03 — — EP disclosed
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