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SCHEMBL11040848

SCHEMBL11040848

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.54
▸ ERAP2 Q6P179 1/20 0.53
▸ LNPEP Q9UIQ6 1/20 0.53
▸ GNPAT O15228 1/20 0.53
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NPY4R P50391 1/20 0.52
▸ OPRD1 P41143 6/20 0.52
▸ OPRM1 P35372 5/20 0.52
▸ NTSR2 O95665 1/20 0.51
▸ NTSR1 P30989 1/20 0.51

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
SCHEMBL11040843 1.00 OPRK1 (0.54) OPRK1ERAP2LNPEPGNPATNPY1R
SCHEMBL31243875 0.96 OPRM1 (0.53) OPRK1ERAP2LNPEPGNPATNPY1R
SCHEMBL31243887 0.95 OPRD1 (0.53) OPRD1
SCHEMBL30578955 0.94 LNPEP (0.58) OPRK1ERAP2LNPEPNPY1RNPY2R
SCHEMBL30385341 0.94 BACE1 (0.58) OPRK1NPY1RNPY2RNPY4ROPRD1
SCHEMBL11042205 0.94 OPRK1 (0.53) OPRK1NPY1RNPY2RNPY4R
SCHEMBL11043731 0.94 OPRK1 (0.53) OPRK1NPY1RNPY2RNPY4R
SCHEMBL11044131 0.94 OPRK1 (0.53) OPRK1NPY1RNPY2RNPY4R
SCHEMBL11045742 0.94 OPRK1 (0.53) OPRK1NPY1RNPY2RNPY4R
SCHEMBL31243889 0.93 BACE1 (0.53) OPRK1OPRD1OPRM1

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-4455303-A Renin inhibitors THE GENERAL HOSPITAL CORPORATION (US) 1984-06-19 — — US disclosed