SCHEMBL20168406

SCHEMBL20168406

NC(=O)[C@@H](N)CCCCNC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.46
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
OTC P00480 1/20 0.41
GSR P00390 1/20 0.41
DDAH1 O94760 3/20 0.39
RRM1 P23921 1/20 0.39
ARG2 P78540 4/20 0.37
ARG1 P05089 3/20 0.37
NOS2 P35228 3/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
CYP1A2 P05177 2/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
GLA P06280 1/20 0.36
NFKB1 P19838 1/20 0.36
APEX1 P27695 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL20168409 1.00 DPP7 (0.46) DPP7GNAI3GNAO1GNAI1OTC
SCHEMBL20951925 0.94 OTC (0.46) DPP7GNAI3GNAO1GNAI1OTC
SCHEMBL9875639 0.86 GSR (0.57) DPP7GNAI3GNAO1GNAI1OTC
SCHEMBL20643482 0.86 GSR (0.57) DPP7GNAI3GNAO1GNAI1OTC
SCHEMBL357483 0.86 GSR (0.57) DPP7GNAI3GNAO1GNAI1OTC
SCHEMBL23111902 0.85 ALOX15 (0.37) DPP7OTCGSRDDAH1NOS2
SCHEMBL23111901 0.85 ALOX15 (0.37) DPP7OTCGSRDDAH1NOS2
SCHEMBL19744548 0.83 DPP7 (0.39) DPP7GNAI3GNAO1GNAI1OTC
SCHEMBL21467496 0.82 DPP7 (0.44) DPP7GNAI3GNAO1GNAI1OTC
SCHEMBL16285441 0.82 KDM4E (0.56) DPP7GNAI3GNAO1GNAI1RRM1

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