SCHEMBL7311343

SCHEMBL7311343

O=C(CC(CC1CCCCC1)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.51
EPHX2 P34913 1/20 0.47
CPB2 Q96IY4 1/20 0.44
ITGB2 P05107 2/20 0.43
ICAM1 P05362 2/20 0.43
ITGAL P20701 2/20 0.43

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
SCHEMBL7309242 0.84 REN (0.54) RENEPHX2
SCHEMBL7318552 0.84 MME (0.55) RENITGB2ICAM1ITGAL
SCHEMBL7311365 0.83 LTA4H (0.44) REN
SCHEMBL7311328 0.83 LTA4H (0.44) REN
SCHEMBL7311305 0.83 LTA4H (0.44) REN
SCHEMBL7312785 0.77 POLB (0.53)
SCHEMBL8257707 0.74 CPB2 (0.55) RENEPHX2CPB2ITGB2ICAM1
SCHEMBL7307725 0.71 MME (0.59) RENITGB2ICAM1ITGAL
SCHEMBL7322345 0.71 MME (0.59) RENITGB2ICAM1ITGAL
SCHEMBL9828553 0.71 EPHX2 (0.59) RENEPHX2CPB2ITGB2ICAM1

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