SCHEMBL7317352

SCHEMBL7317352

NS(=O)(=O)c1cccc(C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.45
CA1 P00915 4/20 0.45
LTA4H P09960 1/20 0.42
MME P08473 4/20 0.41
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39

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
SCHEMBL7317343 1.00 CA2 (0.45) CA2CA1LTA4HMMECA12
SCHEMBL7317378 1.00 CA2 (0.45) CA2CA1LTA4HMMECA12
SCHEMBL7307690 0.88 MME (0.49) LTA4HMME
SCHEMBL7307744 0.88 MME (0.49) LTA4HMME
SCHEMBL7322360 0.88 MME (0.49) LTA4HMME
SCHEMBL7307711 0.88 MME (0.49) LTA4HMME
SCHEMBL7347192 0.86 KMO (0.43) LTA4HMME
SCHEMBL7347170 0.86 KMO (0.43) LTA4HMME
SCHEMBL7347160 0.86 KMO (0.43) LTA4HMME
SCHEMBL7314261 0.86 GPR34 (0.42) LTA4HMME

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