SCHEMBL11018104

SCHEMBL11018104

CCC(C)[CH]NC(=O)C(Cc1c[nH]cn1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.51
▸ CASP3 P42574 1/20 0.49
▸ CTSB P07858 2/20 0.47
▸ CTSK P43235 1/20 0.47
▸ NMBR P28336 2/20 0.43
▸ CTSL P07711 6/20 0.43
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ MME P08473 1/20 0.42
▸ ACE P12821 1/20 0.42
▸ CPA1 P15085 1/20 0.42
▸ ACE2 Q9BYF1 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL11013225 1.00 REN (0.51) RENCASP3CTSBCTSKNMBR
SCHEMBL11015310 0.89 REN (0.53) RENCASP3CTSBCTSKNMBR
SCHEMBL11015890 0.89 REN (0.53) RENCASP3CTSBCTSKNMBR
SCHEMBL11014291 0.89 REN (0.53) RENCASP3CTSBCTSKNMBR
SCHEMBL10721069 0.88 REN (0.54) RENCASP3CTSBCTSKNMBR
SCHEMBL10975883 0.86 REN (0.56) RENCASP3CTSBCTSKNMBR
SCHEMBL10975886 0.86 REN (0.56) RENCASP3CTSBCTSKNMBR
SCHEMBL10639324 0.86 REN (0.52) RENCASP3CTSBCTSKNMBR
SCHEMBL10633448 0.85 REN (0.56) RENCASP3CTSBCTSKNMBR
SCHEMBL10976366 0.84 REN (0.58) RENCASP3CTSBCTSKNMBR

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-0152255-A2 New renin-inhibitory peptides and their use SANKYO COMPANY LIMITED (JP) 1985-08-21 — — EP disclosed
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