SCHEMBL7317366

SCHEMBL7317366

NS(=O)(=O)c1cccc(C(=O)CC(Cc2ccccc2)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.56
CA1 P00915 4/20 0.56
AGTR2 P50052 1/20 0.52
MME P08473 1/20 0.50
ECE1 P42892 1/20 0.50
ITGB2 P05107 2/20 0.45
ICAM1 P05362 2/20 0.45
ITGAL P20701 2/20 0.45
REN P00797 2/20 0.44
ACE2 Q9BYF1 1/20 0.44

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) CA2CA1AGTR2MMEECE1
SCHEMBL7322345 0.87 MME (0.59) CA2CA1AGTR2MMEECE1
SCHEMBL7347178 0.86 AGTR2 (0.55) CA2CA1AGTR2MMEECE1
SCHEMBL7314528 0.85 MRGPRX4 (0.56) CA2CA1AGTR2MMEECE1
SCHEMBL7314274 0.85 MRGPRX4 (0.56) CA2CA1AGTR2MMEECE1
SCHEMBL7314023 0.85 MEN1 (0.50) AGTR2MMEECE1REN
SCHEMBL7317378 0.84 CA2 (0.45) CA2CA1MME
SCHEMBL7317343 0.84 CA2 (0.45) CA2CA1MME
SCHEMBL7317352 0.84 CA2 (0.45) CA2CA1MME
SCHEMBL7313805 0.81 MME (0.55) CA2CA1AGTR2MMEECE1

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