SCHEMBL7319260

SCHEMBL7319260

COC(=O)[C@H](C)N(C(=O)C(CSC(=O)c1ccccc1)Cc1ccccc1)c1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.41
PRSS1 P07477 5/20 0.41
F2 P00734 3/20 0.40
MME P08473 6/20 0.40
ACE P12821 3/20 0.40
GPR34 Q9UPC5 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
MMEL1 Q495T6 2/20 0.38
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
PLG P00747 1/20 0.37

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
SCHEMBL7311243 0.92 F10 (0.42) F10PRSS1F2MMEACE
SCHEMBL7311130 0.92 F10 (0.42) F10PRSS1F2MMEACE
SCHEMBL7333955 0.92 F10 (0.42) F10PRSS1F2MMEACE
SCHEMBL7341475 0.92 F10 (0.42) F10PRSS1F2MMEACE
SCHEMBL7314595 0.84 PPARA (0.44) F10PRSS1F2MMEACE
SCHEMBL7319399 0.83 F10 (0.42) F10PRSS1F2CTSLCTSB
SCHEMBL7311722 0.80 ALDH1A1 (0.36) F10PRSS1F2ALDH1A1CTSL
SCHEMBL7316837 0.80 PTGES (0.43) F10PRSS1F2ALDH1A1
SCHEMBL7322605 0.79 F10 (0.35) F10PRSS1F2ALDH1A1
SCHEMBL6211559 0.78 LMNA (0.41) F10PRSS1F2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805817-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2001-08-16 EP disclosed
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 disclosed
US-5866604-A Thiol derivatives with metallopeptidase inhibitory activity ZAMBON GROUP S.P.A. (IT) 1999-02-02 US disclosed
US-5760241-A ANGIOTENSIN CONVERTING ENZYME AND ENKEPHALINASE INHIBITORS; CARDIOVASCULAR DISORDERS ZAMBON GROUP S.P.A. (IT) 1998-06-02 US disclosed