SCHEMBL30698103

SCHEMBL30698103

COC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSENEN Q9NZ42 5/20 0.52
KLK5 Q9Y337 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
PSEN1 P49768 4/20 0.47
PSEN2 P49810 4/20 0.47
APH1B Q8WW43 4/20 0.47
NCSTN Q92542 4/20 0.47
APH1A Q96BI3 4/20 0.47
CA12 O43570 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 0.41
BIRC2 Q13490 1/20 0.41

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
SCHEMBL30698086 1.00 PSENEN (0.52) PSENENKLK5CTSSCTSKPSEN1
SCHEMBL30698097 1.00 PSENEN (0.52) PSENENKLK5CTSSCTSKPSEN1
SCHEMBL30698109 1.00 PSENEN (0.52) PSENENKLK5CTSSCTSKPSEN1
SCHEMBL30406679 0.92 CTSK (0.50) PSENENKLK5CTSSCTSKPSEN1
SCHEMBL30064700 0.92 CTSK (0.50) PSENENKLK5CTSSCTSKPSEN1
SCHEMBL29918096 0.90 CTSK (0.49) PSENENKLK5CTSSCTSKPSEN1
SCHEMBL2413839 0.89 PSENEN (0.46) PSENENKLK5CTSSCTSKPSEN1
SCHEMBL2413834 0.89 PSENEN (0.46) PSENENKLK5CTSSCTSKPSEN1
SCHEMBL17137934 0.89 PSENEN (0.59) PSENENKLK5CTSSCTSKPSEN1
SCHEMBL7104010 0.89 PSENEN (0.59) PSENENKLK5CTSSCTSKPSEN1

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-113831391-B Dipeptide compound capable of exerting rapid antidepressant effect and application thereof 南京医科大学 2023-10-13 CN disclosed