SCHEMBL9058846

SCHEMBL9058846

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.56
OPRM1 P35372 7/20 0.56
NTSR2 O95665 2/20 0.53
NTSR1 P30989 2/20 0.53
CD40 P25942 2/20 0.52
OPRK1 P41145 1/20 0.52
F2 P00734 2/20 0.50
CHRND Q07001 5/20 0.49
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
CHRNB1 P11230 1/20 0.49
SORT1 Q99523 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
SCHEMBL31720935 0.91 NTSR2 (0.61) NTSR2NTSR1F2SORT1
SCHEMBL31257082 0.91 OPRD1 (0.56) OPRD1OPRM1NTSR2NTSR1CD40
SCHEMBL24517139 0.88 OPRD1 (0.54) OPRD1OPRM1NTSR2NTSR1OPRK1
SCHEMBL31257052 0.88 OPRM1 (0.58) OPRD1OPRM1NTSR2NTSR1CD40
SCHEMBL31257019 0.87 OPRD1 (0.57) OPRD1OPRM1NTSR2NTSR1OPRK1
SCHEMBL24516989 0.87 F2 (0.56) OPRD1NTSR2NTSR1F2CHRND
SCHEMBL31253371 0.86 OPRD1 (0.52) OPRD1OPRM1NTSR2NTSR1OPRK1
SCHEMBL24504179 0.86 F2 (0.54) OPRD1OPRM1NTSR2NTSR1OPRK1
SCHEMBL29448571 0.86 OPRD1 (0.61) OPRD1OPRM1OPRK1
SCHEMBL29445339 0.85 OPRD1 (0.66) OPRD1OPRM1OPRK1

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