SCHEMBL7318552

SCHEMBL7318552

O=C(CC(Cc1ccccc1)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O)c1cccs1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.55
ECE1 P42892 1/20 0.55
AGTR2 P50052 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
ITGB2 P05107 3/20 0.48
ICAM1 P05362 3/20 0.48
ITGAL P20701 3/20 0.48
REN P00797 7/20 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
SCHEMBL7307725 0.87 MME (0.59) MMEECE1AGTR2ACE2ITGB2
SCHEMBL7322345 0.87 MME (0.59) MMEECE1AGTR2ACE2ITGB2
SCHEMBL7311343 0.84 REN (0.51) ITGB2ICAM1ITGALREN
SCHEMBL7310422 0.83 MME (0.56) MMEECE1AGTR2ACE2ITGB2
SCHEMBL7312773 0.83 MME (0.56) MMEECE1AGTR2ACE2ITGB2
SCHEMBL7313805 0.83 MME (0.55) MMEECE1AGTR2ACE2ITGB2
SCHEMBL7318538 0.82 MME (0.45) MME
SCHEMBL7318511 0.82 MME (0.45) MME
SCHEMBL7318567 0.82 MME (0.45) MME
SCHEMBL7311278 0.81 MME (0.53) MMEECE1AGTR2ACE2ITGB2

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-5459131-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1995-10-17 US disclosed