SCHEMBL11098749

SCHEMBL11098749

C[C@H](NC(=O)c1c(C(=O)O)ccc2ccccc12)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.49
PREP P48147 4/20 0.47
FAP Q12884 2/20 0.47
LMNA P02545 1/20 0.46
ACE2 Q9BYF1 4/20 0.45

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
SCHEMBL11106704 0.93 ACE (0.48) ACEPREPFAPLMNAACE2
SCHEMBL11109719 0.93 ACE (0.48) ACEPREPFAPLMNAACE2
SCHEMBL22209483 0.86 PREP (0.52) ACEPREPFAPLMNAACE2
SCHEMBL11104635 0.84 ACE (0.55) ACEPREPFAPLMNAACE2
SCHEMBL29749309 0.80 ACE (0.71) ACEPREPFAPACE2
SCHEMBL11435575 0.80 ACE (0.71) ACEPREPFAPACE2
SCHEMBL3472327 0.80 ACE (0.71) ACEPREPFAPACE2
SCHEMBL22811264 0.80 ACE (0.57) ACEPREPFAPLMNAACE2
SCHEMBL11103510 0.79 ACE (0.46) ACEPREPFAPLMNAACE2
SCHEMBL22811043 0.78 ACE (0.50) ACEPREPFAPLMNAACE2

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-4456595-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1984-06-26 US disclosed