SCHEMBL29607129

SCHEMBL29607129

CC(C)C[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.55
OPRK1 P41145 12/20 0.55
CXCR4 P61073 1/20 0.50
NTSR2 O95665 2/20 0.49
NTSR1 P30989 2/20 0.49
NMUR2 Q9GZQ4 1/20 0.48
NMUR1 Q9HB89 1/20 0.48

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
SCHEMBL29607555 1.00 OPRM1 (0.55) OPRM1OPRK1CXCR4NTSR2NTSR1
SCHEMBL29607822 0.98 OPRM1 (0.53) OPRM1OPRK1CXCR4NTSR2NTSR1
SCHEMBL29608848 0.98 OPRM1 (0.53) OPRM1OPRK1CXCR4NTSR2NTSR1
SCHEMBL29608389 0.96 OPRM1 (0.51) OPRM1OPRK1CXCR4NTSR2NTSR1
SCHEMBL29607765 0.95 OPRK1 (0.55) OPRM1OPRK1CXCR4
SCHEMBL29607813 0.94 OPRK1 (0.53) OPRM1OPRK1CXCR4
SCHEMBL29557983 0.94 OPRM1 (0.49) OPRM1OPRK1NTSR2NTSR1NMUR2
SCHEMBL31590961 0.94 OPRM1 (0.53) OPRM1OPRK1NTSR2NTSR1NMUR2
SCHEMBL30345087 0.94 OPRM1 (0.53) OPRM1OPRK1NTSR2NTSR1NMUR2
SCHEMBL29477110 0.93 NTSR2 (0.53) OPRM1OPRK1NTSR2NTSR1

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-20220120732-A1 TREATMENT OF DISEASES WITH MULTIMERIC PEPTIDES RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2022-04-21 US disclosed