SCHEMBL21828571

SCHEMBL21828571

N=C(N)NCCC[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC15A2 Q16348 1/20 0.52
▸ EPHX2 P34913 1/20 0.52
▸ CYP3A4 P08684 1/20 0.49
▸ SLC7A5 Q01650 1/20 0.49
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ ITGB2 P05107 2/20 0.46
▸ ICAM1 P05362 2/20 0.46
▸ ITGAL P20701 2/20 0.46
▸ SLC6A5 Q9Y345 1/20 0.44
▸ CPB2 Q96IY4 1/20 0.44
▸ NPY4R P50391 1/20 0.43

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
SCHEMBL27687361 0.92 SLC15A2 (0.54) SLC15A2EPHX2CYP3A4SLC7A5
SCHEMBL27687339 0.86 SLC15A2 (0.63) SLC15A2CYP3A4SLC7A5CPB2
Arginine SCHEMBL28235438 0.85 CYP3A4 (0.64) CYP3A4SLC7A5CPB2
SCHEMBL24725154 0.84 CYP3A4 (0.43) SLC15A2CYP3A4SLC7A5
SCHEMBL28027302 0.84 SLC15A2 (0.71) SLC15A2EPHX2CYP3A4SLC7A5CA1
SCHEMBL30409074 0.84 SLC15A2 (0.71) SLC15A2EPHX2CYP3A4SLC7A5CA1
SCHEMBL27747542 0.82 CYP3A4 (0.56) SLC15A2EPHX2CYP3A4SLC7A5CA1
SCHEMBL30692097 0.82 SLC15A2 (0.53) SLC15A2EPHX2CYP3A4SLC7A5CA1
SCHEMBL21828671 0.82 CYP3A4 (0.68) SLC15A2CYP3A4SLC7A5CA1CA2
SCHEMBL20985202 0.81 CYP3A4 (0.57) SLC15A2EPHX2CYP3A4SLC7A5CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020071258-A1 PROTEIN GLYCATION SUPPRESSANT 味の素株式会社 2020-04-09 — — WO disclosed
CN-104844686-A Synthetic cationic lipid derived from natural diosgenin as well as synthesis method and application of synthetic cationic lipid SHANGHAI INST ORGANIC CHEM 2015-08-19 — — CN disclosed
CN-103665170-A Peptide therapeutic conjugates and uses thereof ANGIOCHEM INC 2014-03-26 — — CN disclosed
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