SCHEMBL8446428

SCHEMBL8446428

CC(=O)NCCOC(=O)C(Cc1ccccc1)CN(CC(C)C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.52
ACE P12821 5/20 0.52
TACR1 P25103 2/20 0.43
CTSB P07858 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MBTPS1 Q14703 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL8450819 0.95 MME (0.50) MMEACETACR1CTSBMEN1
SCHEMBL8453133 0.93 MME (0.49) MMEACETACR1CTSBMEN1
SCHEMBL7567282 0.92 MME (0.62) MMEACE
SCHEMBL7567275 0.92 MME (0.62) MMEACE
SCHEMBL8446420 0.90 MME (0.50) MMEACETACR1CTSBMEN1
SCHEMBL8451828 0.88 MME (0.49) MMEACETACR1CTSBMEN1
SCHEMBL8447177 0.86 MME (0.62) MMEACETACR1CTSBMEN1
SCHEMBL7567664 0.86 MME (0.61) MMEACEITGB3ITGAV
SCHEMBL7567672 0.86 MME (0.61) MMEACEITGB3ITGAV
SCHEMBL8032639 0.86 MME (0.71) MMEACECTSB

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