SCHEMBL8453065

SCHEMBL8453065

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.51
ACE P12821 6/20 0.51
FDFT1 P37268 2/20 0.42
CTSB P07858 1/20 0.38
CCR1 P32246 1/20 0.37
ANPEP P15144 1/20 0.37
PTGES O14684 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
SCHEMBL8451265 0.94 MME (0.49) MMEACEFDFT1PTGES
SCHEMBL8451283 0.94 MME (0.53) MMEACEFDFT1ANPEP
SCHEMBL8446410 0.93 MME (0.53) MMEACEFDFT1CTSBPTGES
SCHEMBL8447179 0.89 MME (0.55) MMEACEFDFT1CTSB
SCHEMBL8449905 0.88 MME (0.52) MMEACEFDFT1PTGES
SCHEMBL8448666 0.87 MME (0.51) MMEACEFDFT1
SCHEMBL8447092 0.86 MME (0.45) MMEACEFDFT1CTSB
SCHEMBL8452880 0.86 MME (0.50) MMEACEFDFT1CTSB
SCHEMBL8447319 0.85 MME (0.51) MMEACEFDFT1CTSBPTGES
SCHEMBL8449676 0.84 MME (0.48) MMEACEFDFT1CTSBPTGES

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