SCHEMBL30692097

SCHEMBL30692097

NC(N)=NCCCC(N)C(=O)NC(Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC15A2 Q16348 1/20 0.53
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ NPY4R P50391 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ SLC7A5 Q01650 1/20 0.50
▸ HRH2 P25021 1/20 0.49
▸ HRH4 Q9H3N8 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.49
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ ITGB2 P05107 2/20 0.47
▸ ICAM1 P05362 2/20 0.47
▸ ITGAL P20701 2/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ MC4R P32245 1/20 0.45
▸ MC5R P33032 1/20 0.45
▸ MC3R P41968 1/20 0.45
▸ MC1R Q01726 1/20 0.45
▸ CCNA2 P20248 2/20 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
SCHEMBL28027302 0.84 SLC15A2 (0.71) SLC15A2CYP3A4SLC7A5CA1CA2
SCHEMBL30409074 0.84 SLC15A2 (0.71) SLC15A2CYP3A4SLC7A5CA1CA2
SCHEMBL29351692 0.84 SLC15A2 (0.76) SLC15A2HRH2HRH4HRH3MC4R
SCHEMBL27747542 0.83 CYP3A4 (0.56) SLC15A2CYP3A4SLC7A5CA1CA2
SCHEMBL21828671 0.83 CYP3A4 (0.68) SLC15A2CYP3A4SLC7A5CA1CA2
SCHEMBL21828571 0.82 SLC15A2 (0.52) SLC15A2NPY4RCYP3A4SLC7A5CA1
SCHEMBL20985202 0.82 CYP3A4 (0.57) SLC15A2CYP3A4SLC7A5CA1CA2
SCHEMBL29868096 0.82 CYP3A4 (0.59) SLC15A2CYP3A4SLC7A5CA1CA2
SCHEMBL21748180 0.82 CYP3A4 (0.59) SLC15A2CYP3A4SLC7A5CA1CA2
SCHEMBL29380221 0.81 CYP3A4 (0.65) SLC15A2CYP3A4SLC7A5CA1CA2

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-117264916-A Glucose oxidase mimic enzyme and preparation method and application thereof 杭州诺莘科技有限责任公司 2023-12-22 — — CN disclosed
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