SCHEMBL7319399

SCHEMBL7319399

COC(=O)[C@H](C)N(C(=O)C(CSC(=O)c1ccccc1)Cc1cccnc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.42
PRSS1 P07477 2/20 0.42
F2 P00734 1/20 0.42
ECE1 P42892 1/20 0.39
CTSL P07711 2/20 0.39
CAPN1 P07384 1/20 0.39
LMNA P02545 2/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL7333955 0.91 F10 (0.42) F10PRSS1F2LMNA
SCHEMBL7341475 0.91 F10 (0.42) F10PRSS1F2LMNA
SCHEMBL7311130 0.91 F10 (0.42) F10PRSS1F2LMNA
SCHEMBL7311243 0.91 F10 (0.42) F10PRSS1F2LMNA
SCHEMBL6211555 0.89 LMNA (0.41) F10PRSS1F2ECE1LMNA
SCHEMBL6211559 0.89 LMNA (0.41) F10PRSS1F2ECE1LMNA
SCHEMBL7319260 0.83 F10 (0.41) F10PRSS1F2CTSLCTSB
SCHEMBL7314595 0.82 PPARA (0.44) F10PRSS1F2CTSLCTSB
SCHEMBL7311722 0.80 ALDH1A1 (0.36) F10PRSS1F2CTSLCAPN1
SCHEMBL7322605 0.79 F10 (0.35) F10PRSS1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994539-A Mercapto acyl aminoacid derivatives endowed with dual ACE-NEP inhibitory activity, useful in the treatment of cardiovascular diseases ZAMBON GROUP S.P.A. (IT) 1999-11-30 US claimed
EP-0805817-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2001-08-16 EP disclosed