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SCHEMBL11043731

SCHEMBL11043731

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

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.53
▸ GHSR Q92847 2/20 0.53
▸ NPY4R P50391 3/20 0.51
▸ NPY1R P25929 2/20 0.51
▸ NPY2R P49146 2/20 0.51
▸ NPY5R Q15761 2/20 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
SCHEMBL11042205 1.00 OPRK1 (0.53) OPRK1GHSRNPY4RNPY1RNPY2R
SCHEMBL11045742 1.00 OPRK1 (0.53) OPRK1GHSRNPY4RNPY1RNPY2R
SCHEMBL11044131 1.00 OPRK1 (0.53) OPRK1GHSRNPY4RNPY1RNPY2R
SCHEMBL11045505 0.96 OPRK1 (0.50) OPRK1GHSR
SCHEMBL11045728 0.96 OPRK1 (0.50) OPRK1GHSR
SCHEMBL11045721 0.96 OPRK1 (0.50) OPRK1GHSR
SCHEMBL11044165 0.95 OPRK1 (0.55) OPRK1GHSR
SCHEMBL11049104 0.94 OPRK1 (0.49) OPRK1GHSR
SCHEMBL11047360 0.94 OPRM1 (0.57) OPRK1GHSR
SCHEMBL11040848 0.94 OPRK1 (0.54) OPRK1NPY4RNPY1RNPY2R

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