SCHEMBL17980306

SCHEMBL17980306

N=C(N)NCCC[C@@H](NC(=O)[C@@H](CS)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CS)NC(=O)[C@@H](CS)NC(=O)[C@H](N)CC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.54
▸ EPHA2 P29317 2/20 0.54
▸ KDM1A O60341 3/20 0.53
▸ MAOB P27338 1/20 0.53
▸ KDM5A P29375 1/20 0.53
▸ KDM1B Q8NB78 1/20 0.53
▸ NMUR2 Q9GZQ4 3/20 0.52
▸ NMUR1 Q9HB89 3/20 0.52
▸ CXCR4 P61073 2/20 0.51
▸ NPY1R P25929 2/20 0.50
▸ NPY2R P49146 1/20 0.49
▸ NPY4R P50391 1/20 0.49
▸ NPY5R Q15761 1/20 0.49
▸ MAPK8 P45983 1/20 0.49
▸ MAPK9 P45984 1/20 0.49
▸ MAPK10 P53779 1/20 0.49

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
SCHEMBL17980318 0.95 KDM1A (0.55) OPRM1EPHA2KDM1AMAOBKDM5A
SCHEMBL29663605 0.92 NMUR2 (0.55) OPRM1EPHA2KDM1ANMUR2NMUR1
SCHEMBL31119895 0.92 NMUR2 (0.60) OPRM1EPHA2NMUR2NMUR1CXCR4
SCHEMBL30556351 0.92 NMUR2 (0.60) OPRM1EPHA2NMUR2NMUR1CXCR4
SCHEMBL31692757 0.90 NTSR2 (0.53) OPRM1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30556353 0.90 F2 (0.56) OPRM1NMUR2NMUR1MAPK8MAPK9
SCHEMBL30479459 0.90 NMUR2 (0.53) OPRM1EPHA2NMUR2NMUR1NPY1R
SCHEMBL29821642 0.89 EPHA2 (0.59) OPRM1EPHA2NMUR2NMUR1NPY1R
SCHEMBL30772917 0.89 OPRM1 (0.58) OPRM1EPHA2NMUR2NMUR1
SCHEMBL29864848 0.88 OPRM1 (0.57) OPRM1EPHA2NMUR2NMUR1CXCR4

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-20160222084-A1 Compositions Comprising D-Amino Acid Peptides and Methods of Production and Use Thereof for Inhibiting Autoantibodies THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2016-08-04 — — US disclosed
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