SCHEMBL8908823

SCHEMBL8908823

COc1ccc(CC(OC(=O)N(CC(C(N)=O)c2c[nH]cn2)[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)C2CC2)C(N)=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.34
PSMB8 P28062 3/20 0.31
PSMB5 P28074 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PSMB9 P28065 2/20 0.31
PSMB10 P40306 1/20 0.31
CPB2 Q96IY4 1/20 0.31
F2R P25116 1/20 0.31

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
SCHEMBL8908817 0.84 REN (0.38) RENPSMB8PSMB5PSMB9PSMB10
SCHEMBL8910208 0.76 ALDH1A1 (0.31)
SCHEMBL8910706 0.73 F2R (0.38) RENF2R
SCHEMBL8910205 0.71 GPR132 (0.36) REN
SCHEMBL8910252 0.67 KDM4E (0.39) REN
SCHEMBL8909461 0.67 REN (0.33) REN
Hydrochloric Acid SCHEMBL9800528 0.66 REN (0.52) REN
SCHEMBL9800601 0.63 REN (0.48) REN
SCHEMBL9800598 0.63 REN (0.48) REN
SCHEMBL8910133 0.62 REN (0.51) RENPSMB5

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