SCHEMBL9800475

SCHEMBL9800475

CC(C)(C)OC(=O)n1cnc(C[C@H](NC(=O)[C@H](Cc2ccccc2)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](F)C2CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.58

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
SCHEMBL9008619 0.94 REN (0.66) REN
SCHEMBL9800514 0.89 REN (0.60) REN
SCHEMBL8396871 0.86 REN (0.64) REN
SCHEMBL9800452 0.84 REN (0.67) REN
SCHEMBL9800621 0.84 REN (0.67) REN
SCHEMBL9800717 0.81 REN (0.66) REN
SCHEMBL9008605 0.80 REN (0.42) REN
SCHEMBL9800500 0.80 REN (0.47) REN
Remikiren SCHEMBL156393 0.78 REN (0.76) REN
Remikiren SCHEMBL9556439 0.78 REN (0.76) 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
EP-0416373-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 EP disclosed