SCHEMBL8936997

SCHEMBL8936997

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.51
NTSR1 P30989 11/20 0.51
NTSR2 O95665 8/20 0.51
SORT1 Q99523 3/20 0.51
OPRD1 P41143 2/20 0.46
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
REN P00797 1/20 0.45

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
SCHEMBL8936991 1.00 XIAP (0.51) XIAPNTSR1NTSR2SORT1OPRD1
SCHEMBL29601866 0.90 OPRM1 (0.51) NTSR1NTSR2SORT1OPRD1OPRM1
SCHEMBL31257010 0.85 XIAP (0.57) XIAPNTSR1NTSR2SORT1REN
SCHEMBL29612048 0.85 NTSR1 (0.49) XIAPNTSR1NTSR2SORT1OPRD1
SCHEMBL29801939 0.85 ACE (0.50) XIAPNTSR1NTSR2SORT1OPRM1
SCHEMBL29611519 0.84 NTSR1 (0.51) XIAPNTSR1NTSR2SORT1OPRD1
SCHEMBL29677036 0.84 OPRM1 (0.48) NTSR1NTSR2SORT1OPRD1OPRM1
SCHEMBL31447608 0.84 F2 (0.52) XIAPNTSR1NTSR2SORT1OPRD1
SCHEMBL13697491 0.84 NPY2R (0.46) XIAPNTSR1NTSR2SORT1
SCHEMBL29612063 0.83 NTSR1 (0.49) NTSR1NTSR2SORT1OPRD1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673384-A4 POLYPEPTIDES USEFUL FOR TREATING INFLAMMATORY DISORDERS. UNIV MINNESOTA (US) 1996-10-09 EP disclosed
EP-0673384-A1 POLYPEPTIDES USEFUL FOR TREATING INFLAMMATORY DISORDERS THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1995-09-27 EP disclosed
WO-1994013692-A1 POLYPEPTIDES USEFUL FOR TREATING INFLAMMATORY DISORDERS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1994-06-23 WO disclosed