SCHEMBL9230686

SCHEMBL9230686

CN(C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCCCC1)[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H]1OCOC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.48
CTSE P14091 4/20 0.46
CTSD P07339 3/20 0.46
PGA5 P0DJD9 3/20 0.46
PGC P20142 2/20 0.46

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
SCHEMBL9230025 0.91 REN (0.54) REN
SCHEMBL9222971 0.91 REN (0.54) REN
Hydrochloric Acid SCHEMBL9231934 0.90 REN (0.54) REN
SCHEMBL9225954 0.89 REN (0.46) REN
Cadaverine Tartrate SCHEMBL9222905 0.89 REN (0.52) REN
Maleic Acid SCHEMBL9224890 0.88 REN (0.52) RENCTSECTSDPGA5PGC
SCHEMBL9227589 0.88 REN (0.56) REN
SCHEMBL9224856 0.88 REN (0.45) REN
Citric Acid SCHEMBL9224343 0.86 REN (0.50) REN
SCHEMBL9229301 0.84 REN (0.40) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0656356-A1 DIOXACYCLOALKANE COMPOUND WITH RENIN-INHIBITING ACTIVITY JAPAN TOBACCO INC. (JP) 1995-06-07 EP claimed
EP-0656356-A1 DIOXACYCLOALKANE COMPOUND WITH RENIN-INHIBITING ACTIVITY JAPAN TOBACCO INC. (JP) 1995-06-07 EP disclosed