SCHEMBL7739709

SCHEMBL7739709

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

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
SLC7A5 Q01650 1/20 0.58
HRH3 Q9Y5N1 12/20 0.51
HRH4 Q9H3N8 5/20 0.51
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL15228060 0.96 CYP3A4 (0.57) CYP3A4SLC7A5HRH3HRH4MEN1
SCHEMBL7779386 0.95 CYP3A4 (0.56) CYP3A4SLC7A5HRH3HRH4
SCHEMBL7781926 0.95 CYP3A4 (0.56) CYP3A4SLC7A5HRH3HRH4
SCHEMBL7780217 0.95 CYP3A4 (0.56) CYP3A4SLC7A5HRH3HRH4
SCHEMBL28031774 0.94 CYP3A4 (0.55) CYP3A4SLC7A5HRH3HRH4
SCHEMBL28221698 0.94 CYP3A4 (0.55) CYP3A4SLC7A5HRH3HRH4
SCHEMBL28032325 0.94 CYP3A4 (0.55) CYP3A4SLC7A5HRH3HRH4
SCHEMBL6436202 0.92 CYP3A4 (0.61) CYP3A4SLC7A5HRH3HRH4MEN1
SCHEMBL7300956 0.90 CYP3A4 (0.53) CYP3A4SLC7A5HRH3HRH4
SCHEMBL18878730 0.87 CYP3A4 (0.56) CYP3A4SLC7A5HRH3HRH4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410680-B1 STRESS RESISTANCE THERAPY DENDRIMOLECULAR, INC. 2002-06-25 US claimed
CN-112074737-A Compositions and methods for evaluating listeria strains for attenuation and infectivity 阿德瓦希斯公司 2020-12-11 CN disclosed
CN-111356760-A Lyophilized compositions and methods of bacteria or listeria strains 阿德瓦希斯公司 2020-06-30 CN disclosed
EP-0192554-B1 PEPTIDE DERIVATIVES INHIBITING RENIN AND ACID PROTEASES SANOFI (FR) 1992-01-02 EP disclosed
EP-0192554-A1 Peptide derivatives inhibiting renin and acid proteases SANOFI (FR) 1986-08-27 EP disclosed