SCHEMBL8612906

SCHEMBL8612906

CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC(=O)[C@H](CC(C)C)NCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.55
CTSK P43235 2/20 0.52
PTPN1 P18031 3/20 0.48
CCKBR P32239 3/20 0.45
CCKAR P32238 2/20 0.45
AMY2A P04746 1/20 0.44

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
SCHEMBL8615395 0.92 REN (0.53) RENCTSK
SCHEMBL8613586 0.91 REN (0.59) RENCTSKPTPN1CCKBRCCKAR
SCHEMBL8620136 0.89 REN (0.60) RENCTSKPTPN1
SCHEMBL8614579 0.86 REN (0.55) RENCTSKPTPN1
Hydrochloric Acid SCHEMBL8618101 0.85 OPRM1 (0.47) REN
SCHEMBL8616116 0.83 REN (0.55) RENCTSK
SCHEMBL29838892 0.81 CTSK (0.50) RENCTSKPTPN1
SCHEMBL8613602 0.81 REN (0.51) RENCTSK
SCHEMBL8617359 0.80 REN (0.51) RENCTSK
SCHEMBL29531081 0.79 REN (0.65) RENCTSKPTPN1

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