SCHEMBL9725792

SCHEMBL9725792

CON(C)C(=O)[C@H](CC(C)C)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OCC(C)C

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.56
HTRA1 Q92743 2/20 0.53
CTSL P07711 8/20 0.52
CTSK P43235 6/20 0.52
CTSB P07858 5/20 0.52
CTSS P25774 3/20 0.52
REN P00797 1/20 0.51

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
SCHEMBL7270176 1.00 CAPN1 (0.56) CAPN1HTRA1CTSLCTSKCTSB
SCHEMBL7269496 0.95 CTSL (0.52) CAPN1HTRA1CTSLCTSKCTSB
SCHEMBL7268416 0.95 CAPN1 (0.58) CAPN1HTRA1CTSLCTSKCTSB
SCHEMBL7275313 0.90 CAPN1 (0.57) CAPN1HTRA1CTSLCTSKCTSB
SCHEMBL16847835 0.85 CTSK (0.69) CAPN1CTSLCTSKCTSBCTSS
SCHEMBL7270180 0.83 CTSL (0.51) CAPN1HTRA1CTSLCTSKCTSB
SCHEMBL7269191 0.82 CTSL (0.61) CAPN1CTSLCTSKCTSBCTSS
SCHEMBL7269500 0.81 CTSL (0.50) CAPN1HTRA1CTSLCTSKCTSB
SCHEMBL31397623 0.81 CTSL (0.58) CAPN1CTSLCTSKCTSBCTSS
SCHEMBL1709147 0.81 CTSL (0.67) CTSLCTSKCTSBCTSS

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