SCHEMBL5554051

SCHEMBL5554051

CCCCCCCC(=O)N(C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CN)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.48
▸ ACE2 Q9BYF1 4/20 0.48
▸ CTSD P07339 9/20 0.46
▸ CTSE P14091 9/20 0.46
▸ BACE1 P56817 5/20 0.44
▸ NMUR2 Q9GZQ4 3/20 0.42
▸ NMUR1 Q9HB89 3/20 0.42
▸ OPRK1 P41145 2/20 0.42

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
SCHEMBL7053513 0.91 NMUR2 (0.47) NMUR2NMUR1
SCHEMBL4464636 0.85 APLNR (0.54) —
SCHEMBL4464498 0.85 PSMB5 (0.49) ACE
SCHEMBL2760995 0.84 PSMB5 (0.49) OPRK1
SCHEMBL5068397 0.83 F2 (0.54) —
SCHEMBL5049036 0.82 PSMB5 (0.46) BACE1
SCHEMBL7619215 0.81 NMUR2 (0.58) NMUR2NMUR1OPRK1
SCHEMBL3487862 0.79 FAAH (0.44) —
SCHEMBL4459179 0.78 APLNR (0.63) —
SCHEMBL29630391 0.78 ACE (0.55) ACEACE2OPRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1750745-A1 METHODS OF INHIBITING PROINFLAMMATORY CYTOKINE EXPRESSION USING GHRELIN The United States of America, represented by the Secretary, Department of Health and Human Services (US) 2007-02-14 — — EP disclosed
WO-2005110463-A1 METHODS OF INHIBITING PROINFLAMMATORY CYTOKINE EXPRESSION USING GHRELIN THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH (US) 2005-11-24 — — WO disclosed
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