SCHEMBL11065987

SCHEMBL11065987

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

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 12/20 0.58
ACE2 Q9BYF1 8/20 0.58
LTA4H P09960 2/20 0.53
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL30586506 1.00 ACE (0.58) ACEACE2LTA4HOPRM1OPRD1
SCHEMBL30586508 0.93 ACE (0.57) ACEACE2LTA4HOPRM1OPRD1
SCHEMBL30407371 0.91 ACE (0.55) ACEACE2LTA4HOPRM1OPRD1
SCHEMBL7259788 0.90 ACE (0.64) ACEACE2LTA4H
SCHEMBL7259790 0.90 ACE (0.64) ACEACE2LTA4H
SCHEMBL30407343 0.89 OPRD1 (0.55) ACEACE2OPRM1OPRD1
SCHEMBL5030487 0.89 ACE (0.54) ACEACE2LTA4HOPRM1OPRD1
SCHEMBL5030497 0.89 ACE (0.54) ACEACE2LTA4HOPRM1OPRD1
SCHEMBL29666775 0.88 ACE (0.54) ACEACE2LTA4HOPRM1OPRD1
SCHEMBL5026882 0.87 ACE (0.54) ACEACE2LTA4HOPRM1OPRD1

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
US-4465625-A ANALGESICS RICHTER GEDEON VEGYESZETI GYAR (HU) 1984-08-14 US disclosed