SCHEMBL29128804

SCHEMBL29128804

C=CC(=O)NOC(=O)[C@@H](N)Cc1cnc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.56
▸ SLC7A5 Q01650 1/20 0.56

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
SCHEMBL29183811 0.82 CYP3A4 (0.58) CYP3A4SLC7A5
SCHEMBL29270314 0.82 CYP3A4 (0.58) CYP3A4SLC7A5
SCHEMBL28209701 0.81 CYP3A4 (0.55) CYP3A4SLC7A5
SCHEMBL28504890 0.81 CYP3A4 (0.57) CYP3A4SLC7A5
SCHEMBL388562 0.80 CYP3A4 (0.73) CYP3A4SLC7A5
SCHEMBL3046863 0.80 CYP3A4 (0.60) CYP3A4SLC7A5
SCHEMBL1581156 0.79 CYP3A4 (0.67) CYP3A4SLC7A5
SCHEMBL262239 0.79 CYP3A4 (0.67) CYP3A4SLC7A5
SCHEMBL3846866 0.79 CYP3A4 (0.67) CYP3A4SLC7A5
SCHEMBL28034209 0.79 CYP3A4 (0.52) 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-117050339-B Synthesis process and application of functionalized polystyrene hydrogel 江苏绿安擎峰新材料有限公司 2024-02-13 — — CN disclosed
CN-117050339-A Synthesis process and application of functionalized polystyrene hydrogel 江苏绿安擎峰新材料有限公司 2023-11-14 — — CN disclosed
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