SCHEMBL17451629

SCHEMBL17451629

CC(C)C(=O)NCCCCC(N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.54
GNAI3 P08754 1/20 0.51
GNAO1 P09471 1/20 0.51
GNAI1 P63096 1/20 0.51
GSR P00390 1/20 0.50
NOD1 Q9Y239 1/20 0.49
OTC P00480 1/20 0.49
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
RRM1 P23921 1/20 0.46
ARG2 P78540 4/20 0.46
ARG1 P05089 3/20 0.46
NOS2 P35228 4/20 0.45
NOS1 P29475 3/20 0.45
NOS3 P29474 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 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
SCHEMBL20006611 1.00 DPP7 (0.54) DPP7GNAI3GNAO1GNAI1GSR
SCHEMBL2234222 0.95 OTC (0.54) DPP7GNAI3GNAO1GNAI1GSR
SCHEMBL2234214 0.95 OTC (0.54) DPP7GNAI3GNAO1GNAI1GSR
SCHEMBL20085606 0.89 DPP7 (0.54) DPP7GNAI3GNAO1GNAI1GSR
SCHEMBL19738538 0.88 DPP7 (0.53) DPP7GNAI3GNAO1GNAI1GSR
SCHEMBL5666448 0.88 DPP7 (0.53) DPP7GNAI3GNAO1GNAI1GSR
SCHEMBL1768888 0.87 GSR (0.43) DPP7GSROTCCYP2D6CYP2C9
SCHEMBL1768887 0.87 GSR (0.43) DPP7GSROTCCYP2D6CYP2C9
SCHEMBL22689723 0.86 DPP7 (0.51) DPP7GNAI3GNAO1GNAI1GSR
SCHEMBL22689791 0.86 DPP7 (0.51) DPP7GNAI3GNAO1GNAI1GSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624268-B2 Oral peptide inhibitors of interleukin-23 receptor and their use to treat inflammatory bowel diseases PROTAGONIST THERAPEUTICS, INC. (US) 2017-04-18 US disclosed
WO-2016011208-A1 ORAL PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY BOWEL DISEASES PROTAGONIST THERAPEUTICS, INC. (US) 2016-01-21 WO disclosed