SCHEMBL28046126

SCHEMBL28046126

Nc1ncc(C[C@H](N)C(=O)OC=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 4/20 0.36
▸ CYP3A4 P08684 1/20 0.34
▸ SLC7A5 Q01650 1/20 0.34
▸ MAOB P27338 2/20 0.31
▸ KCNA2 P16389 1/20 0.30
▸ KCNA6 P17658 1/20 0.30
▸ NT5E P21589 1/20 0.30
▸ KCNA3 P22001 1/20 0.30
▸ KCNA4 P22459 1/20 0.30
▸ KCNA5 P22460 1/20 0.30
▸ MAP2K1 Q02750 1/20 0.30

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
SCHEMBL13095827 0.79 SLC7A5 (0.54) AOC3CYP3A4SLC7A5
SCHEMBL59810 0.79 SLC7A5 (0.54) AOC3CYP3A4SLC7A5
SCHEMBL5289317 0.79 SLC7A5 (0.54) AOC3CYP3A4SLC7A5
SCHEMBL5961896 0.75 CYP3A4 (0.63) CYP3A4SLC7A5
SCHEMBL18071081 0.68 GRIA1 (0.46) AOC3CYP3A4SLC7A5
SCHEMBL11159530 0.68 HRH1 (0.45) CYP3A4SLC7A5
SCHEMBL13801486 0.68 HRH4 (0.48) AOC3
SCHEMBL4421753 0.66 SLC7A5 (0.59) SLC7A5
SCHEMBL215141 0.66 SLC7A5 (0.59) SLC7A5
SCHEMBL28400746 0.66 SLC7A5 (0.50) CYP3A4SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459960-A Conditionally active biological proteins 生物蛋白有限公司 2017-02-22 — — CN disclosed
CN-102575243-B Oil degumming methods BUNGE OILS, INC. (US) 2016-02-03 — — CN disclosed
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