SCHEMBL10721069

SCHEMBL10721069

O=C(N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.54
▸ HRH4 Q9H3N8 1/20 0.52
▸ CASP3 P42574 1/20 0.51
▸ CASP1 P29466 3/20 0.49
▸ NMBR P28336 2/20 0.48
▸ MME P08473 3/20 0.47
▸ ECE1 P42892 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CTSL P07711 4/20 0.47
▸ CTSB P07858 3/20 0.47
▸ CTSS P25774 2/20 0.47
▸ CTSK P43235 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ ACE P12821 1/20 0.45

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
SCHEMBL10725326 0.95 REN (0.50) RENHRH4CASP3CASP1NMBR
SCHEMBL10639324 0.94 REN (0.52) RENHRH4CASP3CASP1NMBR
SCHEMBL10636529 0.89 REN (0.58) RENCASP3NMBRCTSLCTSB
SCHEMBL10981168 0.89 REN (0.58) RENCASP3NMBRCTSLCTSB
SCHEMBL11015890 0.89 REN (0.53) RENCASP3CASP1NMBRMAPT
SCHEMBL11014291 0.89 REN (0.53) RENCASP3CASP1NMBRMAPT
SCHEMBL10633366 0.89 REN (0.58) RENCASP3NMBRCTSLCTSB
SCHEMBL11015310 0.89 REN (0.53) RENCASP3CASP1NMBRMAPT
SCHEMBL10976366 0.89 REN (0.58) RENCASP3NMBRCTSLCTSB
SCHEMBL10443977 0.89 CTSL (0.57) MMEECE1CTSLCTSBCTSS

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
US-4698329-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1987-10-06 — — US disclosed
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