SCHEMBL9064865

SCHEMBL9064865

CCCC[C@H](NC(=O)[C@H](Cc1cccc(C)c1)CS(=O)(=O)CC)C(=O)N[C@@H](CC1CCCCC1)C(O)[C@@H](O)CN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.54
▸ CTSD P07339 1/20 0.47
▸ PGA5 P0DJD9 1/20 0.47
▸ CTSE P14091 1/20 0.47
▸ PGC P20142 1/20 0.47

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
SCHEMBL7266771 1.00 REN (0.54) RENCTSDPGA5CTSEPGC
SCHEMBL7268089 0.93 REN (0.62) RENCTSDPGA5CTSEPGC
SCHEMBL7268447 0.88 REN (0.54) RENCTSDPGA5CTSEPGC
SCHEMBL7276336 0.87 REN (0.60) RENCTSDPGA5CTSEPGC
SCHEMBL7275465 0.86 REN (0.52) RENCTSDPGA5CTSEPGC
SCHEMBL7267995 0.86 REN (0.52) RENCTSDPGA5CTSEPGC
SCHEMBL7267114 0.85 REN (0.56) RENCTSDPGA5CTSEPGC
SCHEMBL7273905 0.85 REN (0.49) RENCTSDPGA5CTSEPGC
SCHEMBL7267769 0.85 REN (0.57) REN
SCHEMBL7268582 0.84 REN (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5481036-A RENIN INHIBITORS, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 — — US disclosed
Send feedback