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SCHEMBL11048780

SCHEMBL11048780

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

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.51
▸ GHSR Q92847 3/20 0.50
▸ CTSL P07711 1/20 0.46

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
SCHEMBL11045721 0.97 OPRK1 (0.50) OPRK1GHSR
SCHEMBL11045505 0.97 OPRK1 (0.50) OPRK1GHSR
SCHEMBL11044165 0.94 OPRK1 (0.55) OPRK1GHSRCTSL
SCHEMBL11044131 0.92 OPRK1 (0.53) OPRK1GHSR
SCHEMBL11042205 0.92 OPRK1 (0.53) OPRK1GHSR
SCHEMBL11043731 0.92 OPRK1 (0.53) OPRK1GHSR
SCHEMBL11045742 0.92 OPRK1 (0.53) OPRK1GHSR
SCHEMBL29388869 0.90 GHSR (0.53) OPRK1GHSRCTSL
SCHEMBL29791205 0.90 GHSR (0.53) OPRK1GHSRCTSL
SCHEMBL13224412 0.88 OPRK1 (0.47) OPRK1GHSRCTSL

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
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