SCHEMBL19087236

SCHEMBL19087236

NCC(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC15A2 Q16348 1/20 0.64
CYP3A4 P08684 2/20 0.47
SLC7A5 Q01650 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47
CPB2 Q96IY4 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ITGB2 P05107 2/20 0.44
ICAM1 P05362 2/20 0.44
ITGAL P20701 2/20 0.44
REN P00797 1/20 0.44
CAPN1 P07384 2/20 0.43
EPHX2 P34913 1/20 0.43
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL29349696 1.00 SLC15A2 (0.64) SLC15A2CYP3A4SLC7A5SLC6A5CPB2
SCHEMBL29031268 0.91 SLC15A2 (0.56) SLC15A2CYP3A4SLC7A5SLC6A5CPB2
SCHEMBL2197786 0.84 SLC15A2 (0.72) SLC15A2CYP3A4SLC7A5SLC6A5CPB2
SCHEMBL30081493 0.84 SLC15A2 (0.72) SLC15A2CYP3A4SLC7A5SLC6A5CPB2
SCHEMBL13900497 0.82 SLC15A2 (0.58) SLC15A2CYP3A4SLC7A5CPB2ITGB2
SCHEMBL29351097 0.82 SLC15A2 (0.69) SLC15A2CYP3A4SLC7A5SLC6A5CPB2
SCHEMBL29350066 0.81 SLC15A2 (0.62) SLC15A2CYP3A4SLC7A5SLC6A5CPB2
SCHEMBL30572128 0.81 SLC15A2 (0.62) SLC15A2CYP3A4SLC7A5SLC6A5CPB2
SCHEMBL29867441 0.81 SLC15A2 (0.62) SLC15A2CYP3A4SLC7A5CPB2REN
SCHEMBL23312951 0.81 SLC15A2 (0.61) SLC15A2CYP3A4SLC7A5SLC6A5CPB2

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-2017116267-A1 A NANOELECTRODE FOR DETECTING CU(II) IONS AND A METHOD OF PRODUCING AND USING THEREOF AUTONOMOUS NON-PROFIT ORGANIZATION FOR HIGHER EDUCATION "SKOLKOVO INSTITUTE OF SCIENCE AND TECHNOLOGY" (RU) 2017-07-06 WO disclosed