SCHEMBL9800717

SCHEMBL9800717

CC(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](O)C2CC2)c1)C(C)(C)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.66

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 0.86 REN (0.66) REN
SCHEMBL8396871 0.85 REN (0.64) REN
Remikiren SCHEMBL9556439 0.84 REN (0.76) REN
Remikiren SCHEMBL156393 0.84 REN (0.76) REN
Remikiren SCHEMBL8352292 0.84 REN (0.76) REN
Remikiren SCHEMBL9556708 0.84 REN (0.76) REN
Remikiren SCHEMBL7303589 0.84 REN (0.76) REN
Remikiren SCHEMBL8352030 0.84 REN (0.76) REN
Remikiren SCHEMBL22263508 0.84 REN (0.76) REN
Remikiren SCHEMBL12921156 0.84 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