SCHEMBL8450819

SCHEMBL8450819

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.50
ACE P12821 5/20 0.50
TACR1 P25103 2/20 0.42
CTSB P07858 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CPA1 P15085 1/20 0.38
CPA2 P48052 1/20 0.38
CPA4 Q9UI42 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
MBTPS1 Q14703 1/20 0.37

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
SCHEMBL8453133 0.95 MME (0.49) MMEACETACR1CTSBMEN1
SCHEMBL8446428 0.95 MME (0.52) MMEACETACR1CTSBMEN1
SCHEMBL7567672 0.91 MME (0.61) MMEACECPA1ITGB3ITGAV
SCHEMBL7567664 0.91 MME (0.61) MMEACECPA1ITGB3ITGAV
SCHEMBL8446420 0.88 MME (0.50) MMEACETACR1CTSBMEN1
SCHEMBL7567007 0.87 MME (0.58) MMEACEKMT2ACPA1CPA2
SCHEMBL7566998 0.87 MME (0.58) MMEACEKMT2ACPA1CPA2
SCHEMBL7567282 0.87 MME (0.62) MMEACECPA1
SCHEMBL7567275 0.87 MME (0.62) MMEACECPA1
SCHEMBL8446409 0.87 MME (0.60) MMEACETACR1CTSBMEN1

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