SCHEMBL21554922

SCHEMBL21554922

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NC1CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.56
PSEN1 P49768 4/20 0.55
PSEN2 P49810 4/20 0.55
APH1B Q8WW43 4/20 0.55
NCSTN Q92542 4/20 0.55
APH1A Q96BI3 4/20 0.55
PSENEN Q9NZ42 4/20 0.55
CAPN1 P07384 5/20 0.54
MAPK1 P28482 1/20 0.52

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
SCHEMBL21012396 1.00 REN (0.56) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL21554936 0.90 REN (0.53) REN
SCHEMBL4394844 0.89 CAPN1 (0.59) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL3836761 0.89 KLK5 (0.53) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL289669 0.89 KLK5 (0.53) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL16462573 0.89 KLK5 (0.53) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL21012316 0.87 REN (0.60) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL3841326 0.87 CAPN1 (0.52) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL21458009 0.87 CAPN1 (0.52) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL23921535 0.87 KMT2A (0.53) RENPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3788031-B1 DIPEPTIDYL KETOAMIDE META-METHOXYPHENYL DERIVATIVES AND USES THEREOF LANDSTEINER GENMED S L (ES) 2023-09-27 EP disclosed
EP-3788031-B1 DIPEPTIDYL KETOAMIDE META-METHOXYPHENYL DERIVATIVES AND USES THEREOF LANDSTEINER GENMED S L (ES) 2023-09-27 EP disclosed
EP-3564211-A1 DIPEPTIDYL KETOAMIDE META-METHOXYPHENYL DERIVATIVES AND USES THEREOF LANDSTEINER GENMED, S.L. (ES) 2019-11-06 EP disclosed