SCHEMBL7315216

SCHEMBL7315216

C[C@@H](C(=O)O)N(C(=O)C(CS)Cc1cccnc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.49
ADAMTS4 O75173 1/20 0.47
LMNA P02545 1/20 0.44
CAPN1 P07384 1/20 0.42
CTSL P07711 1/20 0.42
TBXAS1 P24557 1/20 0.41
CPA3 P15088 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
Hydrochloric Acid SCHEMBL7854941 0.99 ECE1 (0.48) ECE1ADAMTS4LMNACAPN1CTSL
SCHEMBL7323948 0.89 CPA3 (0.52) CPA3
SCHEMBL7313773 0.89 CPA3 (0.52) CPA3
SCHEMBL7333784 0.89 CPA3 (0.52) CPA3
SCHEMBL7315467 0.89 CPA3 (0.52) CPA3
SCHEMBL6208838 0.87 CPA3 (0.48) ECE1ADAMTS4LMNATBXAS1CPA3
SCHEMBL6208840 0.87 CPA3 (0.48) ECE1ADAMTS4LMNATBXAS1CPA3
SCHEMBL7312449 0.80 CPA3 (0.43) CPA3
SCHEMBL7321606 0.80 PTGES (0.47) LMNA
SCHEMBL7597454 0.79 HSD17B10 (0.47) ECE1

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-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
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-5760241-A ANGIOTENSIN CONVERTING ENZYME AND ENKEPHALINASE INHIBITORS; CARDIOVASCULAR DISORDERS ZAMBON GROUP S.P.A. (IT) 1998-06-02 US disclosed