SCHEMBL7311115

SCHEMBL7311115

O=C(CC(Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O)c1occ2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.51
ECE1 P42892 1/20 0.51
AGTR2 P50052 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
REN P00797 5/20 0.44
ITGB2 P05107 2/20 0.44
ICAM1 P05362 2/20 0.44
ITGAL P20701 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
LTA4H P09960 1/20 0.44
CAPN1 P07384 1/20 0.42

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
SCHEMBL7310422 0.83 MME (0.56) MMEECE1AGTR2ACE2REN
SCHEMBL7312773 0.83 MME (0.56) MMEECE1AGTR2ACE2REN
SCHEMBL7307725 0.83 MME (0.59) MMEECE1AGTR2ACE2REN
SCHEMBL7322345 0.83 MME (0.59) MMEECE1AGTR2ACE2REN
SCHEMBL7311278 0.79 MME (0.53) MMEECE1AGTR2ACE2REN
SCHEMBL7318552 0.79 MME (0.55) MMEECE1AGTR2ACE2REN
SCHEMBL7313805 0.79 MME (0.55) MMEECE1AGTR2ACE2REN
SCHEMBL7347178 0.77 AGTR2 (0.55) MMEECE1AGTR2ACE2REN
SCHEMBL7320860 0.76 CPA1 (0.53) MME
SCHEMBL10389827 0.76 CPA1 (0.53) MME

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