SCHEMBL13805250

SCHEMBL13805250

CC(C)C[C@H](NC(=O)[C@H](CCCN/C(N)=N/[N+](=O)[O-])NCc1ccc(OC(F)(F)F)cc1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 5/20 0.41
▸ NPY4R P50391 14/20 0.40
▸ NPY1R P25929 8/20 0.39
▸ NPY5R Q15761 8/20 0.39
▸ NPY2R P49146 5/20 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
SCHEMBL13804934 0.95 KISS1R (0.39) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL13804931 0.90 ANPEP (0.44) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL13804935 0.85 ANPEP (0.44) KISS1RNPY4RNPY1R
SCHEMBL8120727 0.79 F2 (0.39) NPY4RNPY1R
Trifluoroacetic Acid SCHEMBL8114483 0.78 CHIT1 (0.38) NPY1R
SCHEMBL8119098 0.78 NPC1 (0.38) —
SCHEMBL8119391 0.75 NPY1R (0.43) NPY4RNPY1RNPY5RNPY2R
SCHEMBL8114868 0.75 MC4R (0.37) KISS1RNPY1R
Trifluoroacetic Acid SCHEMBL8111954 0.75 F2 (0.35) KISS1RNPY4RNPY1R
SCHEMBL8119124 0.75 F2 (0.36) KISS1RNPY1R

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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