SCHEMBL8652122

SCHEMBL8652122

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.59
ACE2 Q9BYF1 5/20 0.59
LTA4H P09960 5/20 0.56
MME P08473 1/20 0.52
MMEL1 Q495T6 1/20 0.52
LMNA P02545 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
SCHEMBL8652119 1.00 ACE (0.59) ACEACE2LTA4HMMEMMEL1
SCHEMBL8655560 0.89 ACE (0.59) ACEACE2LTA4HLMNA
SCHEMBL8655562 0.89 ACE (0.59) ACEACE2LTA4HLMNA
SCHEMBL6438372 0.89 ACE (0.58) ACEACE2LTA4H
SCHEMBL6438368 0.89 ACE (0.58) ACEACE2LTA4H
SCHEMBL8378226 0.89 ACE (0.58) ACEACE2LTA4H
SCHEMBL8655052 0.88 LTA4H (0.59) ACEACE2LTA4H
SCHEMBL8655055 0.88 LTA4H (0.59) ACEACE2LTA4H
SCHEMBL8653852 0.86 ACE (0.56) ACEACE2LTA4H
SCHEMBL8653856 0.86 ACE (0.56) ACEACE2LTA4H

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-5852051-A Dipeptide p-amidinobenzylamides with N-terminal sulfonyl or aminosulfonyl radicals BASF AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed