SCHEMBL9059235

SCHEMBL9059235

CC(C)CC(NC(=O)C(CC(=O)O)NC(=O)C(N)CCCCN)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 3/20 0.52
▸ NTSR2 O95665 9/20 0.48
▸ NTSR1 P30989 9/20 0.48
▸ ACE P12821 5/20 0.46
▸ REN P00797 2/20 0.46
▸ SORT1 Q99523 3/20 0.44

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
SCHEMBL9059237 1.00 OPRK1 (0.52) OPRK1NTSR2NTSR1ACEREN
SCHEMBL29524168 0.93 OPRK1 (0.53) OPRK1NTSR2NTSR1ACESORT1
SCHEMBL30434949 0.90 ACE (0.55) OPRK1ACEREN
SCHEMBL29501732 0.90 ACE (0.52) ACEREN
SCHEMBL30460477 0.88 OPRK1 (0.53) OPRK1NTSR2NTSR1ACESORT1
SCHEMBL6660498 0.88 ACE (0.47) ACEREN
SCHEMBL38659667 0.87 OPRK1 (0.48) OPRK1NTSR2NTSR1ACEREN
SCHEMBL30434892 0.87 ACE (0.52) OPRK1ACEREN
SCHEMBL30844025 0.86 ACE (0.46) OPRK1NTSR2NTSR1ACEREN
SCHEMBL29409430 0.86 OPRK1 (0.55) OPRK1NTSR2NTSR1ACE

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
WO-1996018646-A2 HEAT SHOCK PROTEIN PEPTIDES AND METHODS FOR MODULATING AUTOIMMUNE CENTRAL NERVOUS SYSTEM DISEASE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1996-06-20 — — WO disclosed
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