SCHEMBL11144997

SCHEMBL11144997

CC(C)C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C=O)CCCNC(=N)N

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 16/20 0.48
▸ NPY1R P25929 10/20 0.48
▸ NPY5R Q15761 9/20 0.48
▸ NPY2R P49146 6/20 0.48
▸ CTSL P07711 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 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 SCHEMBL11144211 0.99 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2RCTSL
Hydrochloric Acid SCHEMBL11146647 0.87 BACE1 (0.44) NPY4RNPY1RNPY5RNPY2RCTSL
Hydrochloric Acid SCHEMBL11141884 0.87 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RCTSL
Hydrochloric Acid SCHEMBL11136957 0.84 POLB (0.48) NPY4RNPY1RNPY5RNPY2RMEN1
Hydrochloric Acid SCHEMBL11142073 0.79 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2R
SCHEMBL6674182 0.78 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2R
Hydrochloric Acid SCHEMBL11137940 0.78 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31222398 0.78 NPY4R (0.66) NPY4RNPY1RNPY5RNPY2R
SCHEMBL3308386 0.77 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30643187 0.77 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2R

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
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