SCHEMBL8613586

SCHEMBL8613586

CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(=O)[C@H](CC(C)C)NCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.59
CTSK P43235 3/20 0.54
OPRD1 P41143 4/20 0.49
CCKBR P32239 3/20 0.49
CCKAR P32238 3/20 0.49
CTSS P25774 1/20 0.49
PTPN1 P18031 2/20 0.48

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
SCHEMBL8620136 0.93 REN (0.60) RENCTSKPTPN1
SCHEMBL8616116 0.92 REN (0.55) RENCTSKCTSS
SCHEMBL8612906 0.91 REN (0.55) RENCTSKCCKBRCCKARPTPN1
SCHEMBL8614579 0.90 REN (0.55) RENCTSKPTPN1
SCHEMBL8613602 0.90 REN (0.51) RENCTSKCTSS
SCHEMBL8617359 0.88 REN (0.51) RENCTSKCTSS
SCHEMBL8614417 0.84 MMP3 (0.54) REN
SCHEMBL29531081 0.83 REN (0.65) RENCTSKCTSSPTPN1
SCHEMBL8615395 0.82 REN (0.53) RENCTSKCTSS
SCHEMBL8616604 0.82 CA5A (0.57) RENCTSKCTSS

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-0838471-A1 PEPTIDE DERIVATIVES AND ANGIOTENSIN IV RECEPTOR AGONIST SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-04-29 EP disclosed