SCHEMBL8449676

SCHEMBL8449676

CC(C)CN(C[C@H](OCc1ccccc1)C(N)=O)C(=O)N[C@H](C(=O)O)C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.48
ACE P12821 7/20 0.48
CTSB P07858 2/20 0.42
FDFT1 P37268 2/20 0.39
PSMB5 P28074 1/20 0.39
HPGDS O60760 2/20 0.37
ACACB O00763 1/20 0.37
PTGES O14684 1/20 0.35

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
SCHEMBL8450803 0.91 MME (0.48) MMEACECTSBFDFT1PSMB5
SCHEMBL8447086 0.88 MME (0.44) MMEACECTSBFDFT1PSMB5
SCHEMBL7568973 0.86 MME (0.66) MMEACECTSB
SCHEMBL7568968 0.86 MME (0.66) MMEACECTSB
SCHEMBL8451283 0.86 MME (0.53) MMEACEFDFT1
SCHEMBL8446471 0.86 MME (0.47) MMEACECTSBFDFT1ACACB
SCHEMBL8446405 0.86 MME (0.48) MMEACECTSBFDFT1
SCHEMBL8446421 0.85 MME (0.43) MMEACECTSBFDFT1PSMB5
SCHEMBL8446382 0.84 MME (0.51) MMEACECTSBFDFT1ACACB
SCHEMBL8453065 0.84 MME (0.51) MMEACECTSBFDFT1PTGES

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