SCHEMBL6208732

SCHEMBL6208732

CC(C(=O)O)N(C(=O)C(CS)Cc1ccccc1)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.50
FOLH1 Q04609 1/20 0.50
MME P08473 4/20 0.47
LTA4H P09960 1/20 0.43
TSHR P16473 1/20 0.42
CYP1A2 P05177 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
SCHEMBL6208734 1.00 CPA3 (0.50) CPA3FOLH1MMELTA4HTSHR
SCHEMBL6209579 0.83 CPA3 (0.47) CPA3FOLH1MMELTA4H
SCHEMBL6209574 0.83 CPA3 (0.47) CPA3FOLH1MMELTA4H
SCHEMBL6208838 0.79 CPA3 (0.48) CPA3FOLH1MMELTA4HTSHR
SCHEMBL6208840 0.79 CPA3 (0.48) CPA3FOLH1MMELTA4HTSHR
SCHEMBL7333784 0.78 CPA3 (0.52) CPA3FOLH1MMELTA4H
SCHEMBL7315467 0.78 CPA3 (0.52) CPA3FOLH1MMELTA4H
SCHEMBL7313773 0.78 CPA3 (0.52) CPA3FOLH1MMELTA4H
SCHEMBL7323948 0.78 CPA3 (0.52) CPA3FOLH1MMELTA4H
SCHEMBL6209106 0.77 CPA3 (0.51) CPA3FOLH1MMELTA4HCYP1A2

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