Sugi Predict

Sugi Predict / Compounds / SCHEMBL8613263

SCHEMBL8613263

SCHEMBL8613263

CC(C)C[C@H](NCCc1ccccc1)C(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 4/20 0.68
▸ CTSL P07711 2/20 0.63
▸ CTSS P25774 1/20 0.63
▸ CTSK P43235 1/20 0.63
▸ NMBR P28336 2/20 0.62
▸ REN P00797 2/20 0.60
▸ TP53 P04637 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ ACE P12821 1/20 0.57

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
SCHEMBL9833490 0.87 CTSL (0.76) CCKBRCTSLCTSSCTSKNMBR
SCHEMBL30597905 0.85 CCKBR (0.71) CCKBRCTSLCTSSCTSKREN
SCHEMBL9787805 0.85 CCKBR (0.71) CCKBRCTSLCTSSCTSKREN
SCHEMBL27902206 0.83 CCKBR (0.71) CCKBRCTSLCTSSCTSKREN
SCHEMBL27902208 0.83 CCKBR (0.71) CCKBRCTSLCTSSCTSKREN
SCHEMBL30762270 0.82 CCKBR (0.70) CCKBRCTSLCTSSCTSKREN
SCHEMBL9787740 0.82 CCKBR (0.66) CCKBRCTSLCTSSCTSKREN
SCHEMBL31207815 0.82 CCKBR (0.68) CCKBRCTSLCTSSCTSKREN
SCHEMBL641549 0.82 CCKBR (0.70) CCKBRCTSLCTSSCTSKREN
SCHEMBL9471350 0.82 IL1RN (0.71) CCKBRCTSLCTSSCTSKNMBR

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