SCHEMBL7280285

SCHEMBL7280285

CN[C@@H](Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
REN P00797 17/20 0.40
KLK7 P49862 1/20 0.39

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
SCHEMBL7272612 0.93 REN (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7287334 0.93 KLK7 (0.41) RENKLK7
SCHEMBL7274295 0.89 KLK7 (0.42) RENKLK7
SCHEMBL7279531 0.89 REN (0.41) RENKLK7
SCHEMBL7285856 0.89 KLK7 (0.39) RENKLK7
SCHEMBL7271684 0.88 REN (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9358842 0.84 KLK7 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9011568 0.80 REN (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9355061 0.79 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7273810 0.78 KLK7 (0.42) RENKLK7

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-0300189-B1 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-11-02 EP disclosed
EP-0476515-A1 New amino acid derivatives, a process for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-25 EP disclosed
EP-0300189-A2 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 EP disclosed