SCHEMBL8450818

SCHEMBL8450818

CN(C[C@H](CCc1ccccc1)C(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.40
FDFT1 P37268 2/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
MMP3 P08254 2/20 0.38
CTSL P07711 4/20 0.37
MMP12 P39900 1/20 0.37
OPRK1 P41145 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36

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
SCHEMBL8450197 0.89 UTS2R (0.42) CTSLOPRK1OPRM1OPRD1CTSB
SCHEMBL8450247 0.89 MME (0.47) MMEFDFT1ACECPA1ACE2
SCHEMBL8451272 0.88 PTGES (0.39) MMEFDFT1ACECPA1ACE2
SCHEMBL7569380 0.86 ACE (0.52) MMEACECPA1ACE2MMP3
SCHEMBL7569374 0.86 ACE (0.52) MMEACECPA1ACE2MMP3
SCHEMBL8450814 0.85 MME (0.46) MMEACECPA1ACE2MMP3
SCHEMBL8450113 0.83 MME (0.43) MMEACEMMP3CTSBLNPEP
SCHEMBL8446495 0.81 MME (0.43) MMEACEMMP3CTSBCTSK
SCHEMBL8451246 0.81 MME (0.47) MMEFDFT1ACECPA1ACE2
SCHEMBL8453092 0.81 MME (0.43) MMEACEACE2MMP3CTSB

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-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed