SCHEMBL7313805

SCHEMBL7313805

O=C(CC(Cc1ccccc1)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.55
ECE1 P42892 1/20 0.55
AGTR2 P50052 1/20 0.51
S1PR1 P21453 1/20 0.49
ITGB2 P05107 4/20 0.48
ICAM1 P05362 4/20 0.48
ITGAL P20701 4/20 0.48
ACE2 Q9BYF1 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
REN P00797 4/20 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
SCHEMBL7322345 0.93 MME (0.59) MMEECE1AGTR2ITGB2ICAM1
SCHEMBL7307725 0.93 MME (0.59) MMEECE1AGTR2ITGB2ICAM1
SCHEMBL7347178 0.90 AGTR2 (0.55) MMEECE1AGTR2S1PR1ITGB2
SCHEMBL7311278 0.85 MME (0.53) MMEECE1AGTR2ITGB2ICAM1
SCHEMBL7312773 0.83 MME (0.56) MMEECE1AGTR2ITGB2ICAM1
SCHEMBL7310422 0.83 MME (0.56) MMEECE1AGTR2ITGB2ICAM1
SCHEMBL7318552 0.83 MME (0.55) MMEECE1AGTR2ITGB2ICAM1
SCHEMBL7314274 0.82 MRGPRX4 (0.56) MMEECE1AGTR2ITGB2ICAM1
SCHEMBL7314528 0.82 MRGPRX4 (0.56) MMEECE1AGTR2ITGB2ICAM1
SCHEMBL7313772 0.82 MME (0.45) 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