SCHEMBL8450814

SCHEMBL8450814

CN(CC(CCc1ccccc1)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.46
ACE P12821 3/20 0.45
TACR1 P25103 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
POLB P06746 1/20 0.43
MMP3 P08254 1/20 0.43
ANPEP P15144 1/20 0.43
CTSL P07711 4/20 0.43
MMP12 P39900 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MBTPS1 Q14703 1/20 0.41

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
SCHEMBL7569380 0.95 ACE (0.52) MMEACECPA1ACE2MMP3
SCHEMBL7569374 0.95 ACE (0.52) MMEACECPA1ACE2MMP3
SCHEMBL8450193 0.88 TACR1 (0.52) MMEACETACR1ALDH1A1MAPT
SCHEMBL8447122 0.87 MME (0.57) MMEACETACR1CPA1ACE2
SCHEMBL8450243 0.87 MME (0.57) MMEACETACR1CPA1ACE2
SCHEMBL8451268 0.87 MME (0.46) MMEACETACR1CPA1ACE2
SCHEMBL27446786 0.86 ACE (0.51) MMEACETACR1ALDH1A1MAPT
SCHEMBL8450818 0.85 MME (0.40) MMEACECPA1ACE2MMP3
SCHEMBL8446494 0.84 MME (0.53) MMEACETACR1CPA1ACE2
SCHEMBL8451243 0.84 MME (0.53) MMEACETACR1CPA1ACE2

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