SCHEMBL7269496

SCHEMBL7269496

CON(C)C(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)OCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.52
CTSB P07858 5/20 0.52
CTSK P43235 3/20 0.52
CTSS P25774 2/20 0.52
CAPN1 P07384 2/20 0.52
HTRA1 Q92743 1/20 0.49
REN P00797 1/20 0.49

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
SCHEMBL9725792 0.95 CAPN1 (0.56) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7270176 0.95 CAPN1 (0.56) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7268416 0.90 CAPN1 (0.58) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7275313 0.85 CAPN1 (0.57) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL1709147 0.85 CTSL (0.67) CTSLCTSBCTSKCTSS
SCHEMBL7220623 0.85 CTSL (0.67) CTSLCTSBCTSKCTSS
SCHEMBL629856 0.85 CTSL (0.67) CTSLCTSBCTSKCTSS
SCHEMBL7269191 0.84 CTSL (0.61) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL7269500 0.84 CTSL (0.50) CTSLCTSBCTSKCTSSCAPN1
SCHEMBL31397623 0.83 CTSL (0.58) CTSLCTSBCTSKCTSSCAPN1

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-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed