SCHEMBL7264615

SCHEMBL7264615

CCN(C(=O)OCc1ccccc1)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.52
LMNA P02545 1/20 0.52
LTA4H P09960 5/20 0.50
CTRB1 P17538 1/20 0.48
ACE2 Q9BYF1 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL7272500 0.90 ACE (0.50) ACELMNALTA4HCTRB1ACE2
SCHEMBL7264861 0.88 ACE (0.53) ACELMNALTA4HCTRB1ACE2
Cyclohexylamine SCHEMBL10724749 0.82 ACE (0.47) ACELMNALTA4HCTRB1ACE2
SCHEMBL10655550 0.81 ACE (0.52) ACELMNALTA4HACE2SMN1; SMN2
SCHEMBL10658161 0.81 ACE (0.52) ACELMNALTA4HACE2SMN1; SMN2
SCHEMBL7273945 0.81 ACE (0.61) ACELTA4HACE2
SCHEMBL10657952 0.80 ACE (0.54) ACELMNALTA4HACE2SMN1; SMN2
Water SCHEMBL7272188 0.80 ACE (0.60) ACELTA4HACE2
SCHEMBL10660541 0.79 ACE (0.54) ACELMNALTA4HSMN1; SMN2
SCHEMBL7368526 0.78 ACE (0.51) ACELMNALTA4HACE2

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
EP-0185390-B1 TRIPEPTIDYL-ARGININALDEHYDE, PROCESS FOR ITS PREPARATION AND MEDICAMENTS THEREOF, AS WELL AS N-(MONOALKYL) AND N,N-DI-(ALKYL)-XXX-L-PROLINE DIPEPTIDE RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-10-02 EP disclosed
US-4703036-A ANTICOAGULANTS RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1987-10-27 US disclosed
EP-0185390-A2 Tripeptidyl-argininaldehyde, process for its preparation and medicaments thereof, as well as N-(monoalkyl) and N,N-di-(alkyl)-Xxx-L-proline dipeptide RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1986-06-25 EP disclosed