SCHEMBL9725771

SCHEMBL9725771

CC(C)CC(NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OC1CCCCC1)[C@@H](O)c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.47
CTSL P07711 6/20 0.44
CTSB P07858 3/20 0.44
CTSK P43235 4/20 0.44
CTSS P25774 2/20 0.44
CAPN1 P07384 1/20 0.42

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
SCHEMBL7284859 0.87 REN (0.51) RENCTSLCTSBCTSKCTSS
SCHEMBL7284863 0.87 REN (0.51) RENCTSLCTSBCTSKCTSS
SCHEMBL7269394 0.84 REN (0.49) REN
SCHEMBL7268135 0.84 REN (0.49) REN
SCHEMBL9725802 0.84 REN (0.49) REN
SCHEMBL9725773 0.84 REN (0.46) RENCTSLCTSBCTSKCTSS
SCHEMBL9725883 0.83 REN (0.48) RENCTSLCTSBCTSKCTSS
SCHEMBL9725737 0.82 REN (0.50) RENCTSLCTSBCTSKCTSS
SCHEMBL9725765 0.82 CTSL (0.47) RENCTSLCTSBCTSKCTSS
SCHEMBL7269371 0.81 REN (0.51) RENCTSLCTSBCTSSCAPN1

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-5106835-A Hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-04-21 US disclosed