SCHEMBL27719102

SCHEMBL27719102

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

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.58
▸ SLC7A5 Q01650 1/20 0.58
▸ NLN Q9BYT8 3/20 0.51

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
SCHEMBL28762579 0.89 CYP3A4 (0.52) CYP3A4SLC7A5NLN
SCHEMBL27946609 0.80 CYP3A4 (0.69) CYP3A4SLC7A5NLN
SCHEMBL18162790 0.80 CYP3A4 (0.69) CYP3A4SLC7A5NLN
SCHEMBL13331622 0.80 CYP3A4 (0.69) CYP3A4SLC7A5NLN
SCHEMBL6957266 0.80 CYP3A4 (0.69) CYP3A4SLC7A5NLN
SCHEMBL21828671 0.80 CYP3A4 (0.68) CYP3A4SLC7A5NLN
SCHEMBL27802167 0.80 CYP3A4 (0.64) CYP3A4SLC7A5NLN
SCHEMBL27450330 0.79 CYP3A4 (0.67) CYP3A4SLC7A5NLN
SCHEMBL11615061 0.78 CTSC (0.53) CYP3A4SLC7A5NLN
SCHEMBL30270561 0.78 CYP3A4 (0.67) CYP3A4SLC7A5NLN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102933604-B Anti-α 2 alpha 2 integrin antibodies and uses thereof SAI NUOFEI (FR) 2016-04-06 — — CN disclosed
CN-102933604-A Anti-alpha 2 integrin antibodies and uses SANOFI SA 2013-02-13 — — CN disclosed
CN-102014952-A Vaccine composition for treatment of dengue fever and uses thereof CYTOS BIOTECHNOLOGY AG 2011-04-13 — — CN disclosed
CN-101287702-A N-phenyl phenylacetamide non-nucleoside reverse transcriptase inhibitors HOFFMANN LA ROCHE (CH) 2008-10-15 — — CN disclosed
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