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SCHEMBL7270180

SCHEMBL7270180

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 10/20 0.51
▸ CTSB P07858 6/20 0.51
▸ CAPN1 P07384 2/20 0.51
▸ HTRA1 Q92743 1/20 0.49
▸ REN P00797 1/20 0.48
▸ CTSK P43235 7/20 0.48
▸ CTSS P25774 3/20 0.48

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
SCHEMBL7269500 0.95 CTSL (0.50) CTSLCTSBCAPN1HTRA1CTSK
SCHEMBL7268421 0.95 CAPN1 (0.52) CTSLCTSBCAPN1HTRA1REN
SCHEMBL7275321 0.90 CAPN1 (0.51) CTSLCTSBCAPN1HTRA1REN
SCHEMBL7270176 0.83 CAPN1 (0.56) CTSLCTSBCAPN1HTRA1REN
SCHEMBL9725792 0.83 CAPN1 (0.56) CTSLCTSBCAPN1HTRA1REN
SCHEMBL9725783 0.83 CAPN1 (0.48) CTSLCTSBCAPN1HTRA1REN
SCHEMBL7269496 0.82 CTSL (0.52) CTSLCTSBCAPN1HTRA1REN
SCHEMBL7269191 0.81 CTSL (0.61) CTSLCTSBCAPN1CTSKCTSS
SCHEMBL7268416 0.78 CAPN1 (0.58) CTSLCTSBCAPN1HTRA1REN
SCHEMBL9725799 0.77 CTSL (0.48) CTSLCTSBCAPN1HTRA1REN

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106835-A Hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-04-21 — — US disclosed
EP-0376012-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 — — EP disclosed
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 — — EP disclosed