SCHEMBL8446409

SCHEMBL8446409

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

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.60
ACE P12821 7/20 0.60
CTSB P07858 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TACR1 P25103 1/20 0.43
ACE2 Q9BYF1 3/20 0.43
MBTPS1 Q14703 1/20 0.42
POLB P06746 1/20 0.42
CPA1 P15085 2/20 0.42
ANPEP P15144 1/20 0.42

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
SCHEMBL8449902 0.94 MME (0.58) MMEACECTSBMEN1KMT2A
SCHEMBL8447177 0.94 MME (0.62) MMEACECTSBMEN1KMT2A
SCHEMBL8448662 0.93 MME (0.57) MMEACECTSBMEN1KMT2A
SCHEMBL8452877 0.93 MME (0.56) MMEACECTSBMEN1KMT2A
SCHEMBL8453062 0.92 MME (0.56) MMEACECTSBMEN1KMT2A
SCHEMBL8452236 0.90 MME (0.53) MMEACECTSB
SCHEMBL8447122 0.89 MME (0.57) MMEACECTSBMEN1KMT2A
SCHEMBL8450243 0.89 MME (0.57) MMEACECTSBMEN1KMT2A
SCHEMBL7567309 0.89 MME (0.76) MMEACEACE2CPA1
SCHEMBL7568195 0.89 MME (0.76) MMEACEACE2CPA1

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