SCHEMBL8910133

SCHEMBL8910133

COc1ccc(CC(NC(=O)CC(C)(C)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)C2CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.51
P2RX1 P51575 1/20 0.42
PSMB5 P28074 1/20 0.41

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
Hydrochloric Acid SCHEMBL9800528 0.88 REN (0.52) RENP2RX1
SCHEMBL9800601 0.88 REN (0.48) RENP2RX1
SCHEMBL9800540 0.88 REN (0.49) RENP2RX1
Enalkiren SCHEMBL123107 0.86 REN (0.62) REN
SCHEMBL9800598 0.84 REN (0.48) RENP2RX1
SCHEMBL7334721 0.83 REN (0.52) REN
SCHEMBL9694640 0.82 REN (0.53) REN
SCHEMBL9800781 0.82 REN (0.55) RENP2RX1
SCHEMBL9800706 0.82 REN (0.46) REN
SCHEMBL9526952 0.81 REN (0.53) REN

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-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 US disclosed