SCHEMBL20174121

SCHEMBL20174121

CNCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.54
PRSS1 P07477 1/20 0.54
MAPK1 P28482 1/20 0.52
OPRK1 P41145 1/20 0.52
CMA1 P23946 11/20 0.51
REN P00797 3/20 0.51

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
SCHEMBL22962350 0.89 F2 (0.57) F2PRSS1CMA1
SCHEMBL20173781 0.89 ITGB3 (0.47) F2PRSS1MAPK1CMA1
SCHEMBL20174122 0.87 OPRK1 (0.61) F2OPRK1REN
SCHEMBL22962154 0.85 F2 (0.54) F2PRSS1CMA1
SCHEMBL20173727 0.85 OPRM1 (0.54) F2PRSS1OPRK1CMA1REN
SCHEMBL20174030 0.84 ACE (0.67) F2PRSS1MAPK1CMA1REN
SCHEMBL22962005 0.84 F2 (0.58) F2PRSS1CMA1REN
SCHEMBL30440351 0.83 CMA1 (0.55) F2PRSS1CMA1REN
SCHEMBL20173734 0.83 OPRM1 (0.54) F2PRSS1OPRK1REN
SCHEMBL7348141 0.82 MAPK1 (0.61) F2PRSS1MAPK1CMA1

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-2018094335-A1 FINE-TUNE MODULATORS OF NEURONAL EXCITABILITY FOR NEUROPSYCHIATRIC DISORDERS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-05-24 WO disclosed