SCHEMBL10887597

SCHEMBL10887597

C[C@H](N)C(=O)N1CCC[C@H]1C(=O)O.C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 13/20 0.56
▸ LMNA P02545 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ LTA4H P09960 2/20 0.48
▸ ACE2 Q9BYF1 4/20 0.47
▸ TMPRSS11D O60235 1/20 0.46

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
SCHEMBL10658304 0.96 ACE (0.52) ACELMNASMN1; SMN2LTA4HACE2
SCHEMBL10658300 0.96 ACE (0.52) ACELMNASMN1; SMN2LTA4HACE2
SCHEMBL10058307 0.95 ACE (0.61) ACELMNASMN1; SMN2LTA4HACE2
SCHEMBL10404674 0.95 ACE (0.61) ACELMNASMN1; SMN2LTA4HACE2
SCHEMBL10656580 0.91 ACE (0.57) ACELMNASMN1; SMN2LTA4HACE2
SCHEMBL15251895 0.82 ACE (0.54) ACELMNALTA4HACE2TMPRSS11D
SCHEMBL15251683 0.82 ACE (0.54) ACELMNALTA4HACE2TMPRSS11D
SCHEMBL15251684 0.82 ACE (0.54) ACELMNALTA4HACE2TMPRSS11D
SCHEMBL19390241 0.82 ACE (0.53) ACELMNASMN1; SMN2LTA4HACE2
Arginine SCHEMBL10658646 0.80 ACE (0.47) ACELMNASMN1; SMN2TMPRSS11D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0190852-A2 Dipeptide derivatives and antihypertensive drugs containing them AJINOMOTO CO., INC. (JP) 1986-08-13 — — EP disclosed
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