SCHEMBL6208840

SCHEMBL6208840

C[C@@H](C(=O)O)N(C(=O)C(CS)Cc1ccccc1)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.48
FOLH1 Q04609 1/20 0.48
LMNA P02545 1/20 0.47
ECE1 P42892 1/20 0.46
MME P08473 3/20 0.45
TBXAS1 P24557 3/20 0.44
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
LTA4H P09960 1/20 0.41
ADAMTS4 O75173 1/20 0.41

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
SCHEMBL6208838 1.00 CPA3 (0.48) CPA3FOLH1LMNAECE1MME
SCHEMBL7315216 0.87 ECE1 (0.49) CPA3LMNAECE1TBXAS1ADAMTS4
Hydrochloric Acid SCHEMBL7854941 0.86 ECE1 (0.48) LMNAECE1TBXAS1ADAMTS4
SCHEMBL7313773 0.81 CPA3 (0.52) CPA3FOLH1MMELTA4H
SCHEMBL7315467 0.81 CPA3 (0.52) CPA3FOLH1MMELTA4H
SCHEMBL7333784 0.81 CPA3 (0.52) CPA3FOLH1MMELTA4H
SCHEMBL7323948 0.81 CPA3 (0.52) CPA3FOLH1MMELTA4H
SCHEMBL6208732 0.79 CPA3 (0.50) CPA3FOLH1MMETSHRLTA4H
SCHEMBL6208734 0.79 CPA3 (0.50) CPA3FOLH1MMETSHRLTA4H
SCHEMBL9067585 0.77 HTT (0.39) LMNATBXAS1GAATSHRADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883612-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE (ACE/NEP) INHIBITORY ACTIVITY ZAMBON SPA (IT) 2005-02-23 EP claimed
EP-0883612-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE (ACE/NEP) INHIBITORY ACTIVITY ZAMBON SPA (IT) 2005-02-23 EP disclosed
US-6166051-A Thiol derivatives with metallopeptidase (ACE/NEP) inhibitory activity ZAMBON GROUP S.P.A. (IT) 2000-12-26 US disclosed
EP-0883612-A1 THIOL DERIVATIVES WITH METALLOPEPTIDASE (ACE/NEP) INHIBITORY ACTIVITY ZAMBON GROUP S.p.A. (IT) 1998-12-16 EP disclosed
WO-1997024341-A1 THIOL DERIVATIVES WITH METALLOPEPTIDASE (ACE/NEP) INHIBITORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 1997-07-10 WO disclosed