SCHEMBL7314528

SCHEMBL7314528

O=C(CC(Cc1ccccc1)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.56
AGTR2 P50052 1/20 0.53
MME P08473 1/20 0.51
ECE1 P42892 1/20 0.51
ITGB2 P05107 3/20 0.48
ICAM1 P05362 3/20 0.48
ITGAL P20701 3/20 0.48
REN P00797 3/20 0.46
ACE2 Q9BYF1 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MCL1 Q07820 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
SCHEMBL7314274 1.00 MRGPRX4 (0.56) MRGPRX4AGTR2MMEECE1ITGB2
SCHEMBL7322345 0.88 MME (0.59) AGTR2MMEECE1ITGB2ICAM1
SCHEMBL7307725 0.88 MME (0.59) AGTR2MMEECE1ITGB2ICAM1
SCHEMBL7347178 0.87 AGTR2 (0.55) MRGPRX4AGTR2MMEECE1ITGB2
SCHEMBL7317366 0.85 CA2 (0.56) AGTR2MMEECE1ITGB2ICAM1
SCHEMBL7314261 0.83 GPR34 (0.42) MRGPRX4MMEECE1
SCHEMBL7314251 0.83 GPR34 (0.42) MRGPRX4MMEECE1
SCHEMBL7314543 0.83 GPR34 (0.42) MRGPRX4MMEECE1
SCHEMBL7314516 0.83 GPR34 (0.42) MRGPRX4MMEECE1
SCHEMBL7313805 0.82 MME (0.55) AGTR2MMEECE1ITGB2ICAM1

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