SCHEMBL28194192

SCHEMBL28194192

N[C@@H](Cc1cnc[nH]1)C(=O)OC(=O)C1NC(C(=O)Oc2nccc3ccccc23)Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NLN Q9BYT8 6/20 0.40
▸ KLK5 Q9Y337 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.35
▸ FNTA P49354 1/20 0.35
▸ PGGT1B P53609 1/20 0.35

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
SCHEMBL4308250 0.80 NLN (0.53) NLN
Histidine SCHEMBL29012901 0.69 CYP3A4 (0.55) NLN
SCHEMBL1537285 0.65 CYP3A4 (0.71) —
SCHEMBL163444 0.65 CYP3A4 (0.71) —
Hydrochloric Acid SCHEMBL28331180 0.64 CYP3A4 (0.69) —
SCHEMBL28090262 0.64 CYP3A4 (0.57) NLN
SCHEMBL1007042 0.64 CYP3A4 (0.61) NLN
SCHEMBL28328192 0.63 CYP3A4 (0.67) —
SCHEMBL11606914 0.63 CYP3A4 (0.50) NLNDPP7
SCHEMBL2586204 0.63 CYP3A4 (0.50) NLNDPP7

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-107614512-A Short synthetic peptides for the treatment and/or prevention of autoimmune and inflammatory diseases 台湾基督长老教会马偕医疗财团法人马偕纪念医院 2018-01-19 — — CN disclosed
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