SCHEMBL28102738

SCHEMBL28102738

NC(CCCNC(=O)CC1CCCN1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.48
TDP1 Q9NUW8 1/20 0.38
DDAH1 O94760 1/20 0.37
NOD1 Q9Y239 2/20 0.37
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
PRCP P42785 2/20 0.36
GSR P00390 1/20 0.35
ARG1 P05089 3/20 0.33
ARG2 P78540 1/20 0.33
FDPS P14324 1/20 0.33

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
SCHEMBL2235726 1.00 OTC (0.48) OTCTDP1DDAH1NOD1MAPK11
SCHEMBL28102652 0.96 OTC (0.47) OTCTDP1DDAH1NOD1MAPK11
SCHEMBL2240203 0.96 OTC (0.47) OTCTDP1DDAH1NOD1MAPK11
SCHEMBL1768358 0.92 OTC (0.38) OTCTDP1NOD1MAPK11MAPK14
SCHEMBL28833501 0.92 OTC (0.38) OTCTDP1NOD1MAPK11MAPK14
SCHEMBL28095715 0.88 FDPS (0.39) OTCTDP1ARG1ARG2FDPS
SCHEMBL2236439 0.88 FDPS (0.39) OTCTDP1ARG1ARG2FDPS
SCHEMBL1768816 0.83 GFPT1 (0.37) ARG1FDPS
SCHEMBL28095367 0.83 GFPT1 (0.37) ARG1FDPS
SCHEMBL1768781 0.80 FDPS (0.41) FDPS

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
CN-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 波利弗尔股份公司 2016-10-26 CN disclosed