SCHEMBL7278296

SCHEMBL7278296

CCOC(OC)OC([C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)[C@@H]1CN(CC)S(=O)(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
REN P00797 17/20 0.33
AAK1 Q2M2I8 1/20 0.32
CTSD P07339 1/20 0.31
CTSE P14091 1/20 0.31

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
SCHEMBL7278101 0.83 CTSS (0.38) CTSSCTSKRENAAK1CTSD
SCHEMBL7280431 0.79 CTSS (0.41) CTSSCTSKRENAAK1CTSD
SCHEMBL7326618 0.77 REN (0.43) CTSSCTSKRENAAK1
SCHEMBL10592327 0.77 CTSS (0.40) CTSSCTSKRENAAK1CTSD
SCHEMBL7289842 0.76 CTSS (0.37) CTSSCTSKRENAAK1CTSD
SCHEMBL7290446 0.75 REN (0.39) CTSSCTSKRENAAK1CTSD
SCHEMBL7280957 0.74 CTSS (0.42) CTSSCTSKRENAAK1CTSD
SCHEMBL7278174 0.74 CTSS (0.38) CTSSCTSKRENAAK1CTSD
SCHEMBL7358262 0.74 CTSS (0.38) CTSSCTSKRENAAK1CTSD
SCHEMBL7286725 0.73 REN (0.42) CTSSCTSKRENAAK1CTSD

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
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP disclosed