SCHEMBL29286205

SCHEMBL29286205

[N-]=[N+]=NCC(=O)NCCC(N)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OTC P00480 1/20 0.45
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ NOS2 P35228 4/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ DDAH1 O94760 3/20 0.37
▸ GRM8 O00222 1/20 0.36
▸ GRM6 O15303 1/20 0.36
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GSR P00390 1/20 0.36
▸ GRIK1 P39086 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ GRIA1 P42261 1/20 0.36
▸ GRIA2 P42262 1/20 0.36

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
SCHEMBL29286204 1.00 OTC (0.45) OTCCA2CA9NOS2CYP1A2
SCHEMBL20528882 0.91 OTC (0.57) OTCCA2CA9NOS2CYP1A2
SCHEMBL22691090 0.89 OTC (0.52) OTCCA2CA9NOS2CYP1A2
SCHEMBL13464207 0.89 OTC (0.52) OTCCA2CA9NOS2CYP1A2
SCHEMBL13445977 0.89 OTC (0.52) OTCCA2CA9NOS2CYP1A2
SCHEMBL21611916 0.84 OTC (0.48) OTCCA2CA9NOS2CYP1A2
SCHEMBL21611915 0.84 OTC (0.48) OTCCA2CA9NOS2CYP1A2
SCHEMBL24610028 0.79 OTC (0.44) OTCNOS2CYP1A2CYP2C19TSHR
SCHEMBL15469244 0.79 OTC (0.44) OTCNOS2CYP1A2CYP2C19TSHR
SCHEMBL15618245 0.76 OTC (0.51) OTCNOS2CYP1A2CYP2C19TSHR

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-118354781-A Peptide inhibitors of interleukin-23 receptor 西兰制药公司 2024-07-16 — — CN disclosed
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