SCHEMBL9508358

SCHEMBL9508358

NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.51
OPRM1 P35372 1/20 0.49
ACE2 Q9BYF1 4/20 0.48
LTA4H P09960 2/20 0.48
XIAP P98170 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL11060360 0.87 LTA4H (0.61) ACEACE2LTA4HTSHR
SCHEMBL5710967 0.86 ACE (0.61) ACEOPRM1ACE2LTA4HTSHR
Oxalic Acid SCHEMBL11058316 0.85 ACE (0.50) ACEOPRM1ACE2XIAP
SCHEMBL30165330 0.84 ACE (0.57) ACEACE2LTA4HTSHR
SCHEMBL5030497 0.80 ACE (0.54) ACEOPRM1ACE2LTA4HTSHR
SCHEMBL5030487 0.80 ACE (0.54) ACEOPRM1ACE2LTA4HTSHR
SCHEMBL9508348 0.80 ACE (0.59) ACEOPRM1ACE2
SCHEMBL30358542 0.79 ACE (0.58) ACEOPRM1ACE2LTA4HTSHR
SCHEMBL29630391 0.79 ACE (0.55) ACEOPRM1ACE2LTA4HTSHR
SCHEMBL18064472 0.79 ACE (0.53) ACEOPRM1ACE2LTA4H

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-0316218-B1 L-PROLINE DERIVATIVES, THEIR PREPARATION AND BIOLOGICAL APPLICATIONS THEREOF EKITA Investments N.V. (NA) 1993-09-15 EP claimed