SCHEMBL11116045

SCHEMBL11116045

C[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)OC(C)(C)C)C(=O)NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.47
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ OPRD1 P41143 15/20 0.43
▸ OPRM1 P35372 6/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ CCKBR P32239 3/20 0.39
▸ CCKAR P32238 2/20 0.39

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
SCHEMBL10630954 0.85 REN (0.49) RENOPRD1OPRM1OPRK1
SCHEMBL10707861 0.84 CTSS (0.44) RENCTSSCTSKOPRD1CCKBR
SCHEMBL20440150 0.80 CTSS (0.45) RENCTSSCTSKOPRD1OPRM1
SCHEMBL4018243 0.80 CTSS (0.66) CTSSCTSKOPRD1OPRM1OPRK1
SCHEMBL11683746 0.80 CTSS (0.66) CTSSCTSKOPRD1OPRM1OPRK1
SCHEMBL4018237 0.80 CTSS (0.66) CTSSCTSKOPRD1OPRM1OPRK1
SCHEMBL4778626 0.79 CTSS (0.44) RENCTSSCTSKOPRD1OPRM1
SCHEMBL6661008 0.79 CTSS (0.44) RENCTSSCTSKOPRD1OPRM1
SCHEMBL8766144 0.79 CTSS (0.44) RENCTSSCTSKOPRD1OPRM1
SCHEMBL11443642 0.78 REN (0.47) RENCTSK

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-0122018-A2 Improvements in and relating to pharmacologically active tripeptide derivatives ELI LILLY AND COMPANY (US) 1984-10-17 — — EP disclosed
Send feedback