SCHEMBL8453062

SCHEMBL8453062

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.56
ACE P12821 5/20 0.56
POLB P06746 1/20 0.45
CTSB P07858 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ANPEP P15144 1/20 0.42
TACR1 P25103 1/20 0.42
MBTPS1 Q14703 1/20 0.41
PTPN1 P18031 2/20 0.41
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40

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
SCHEMBL8451262 0.94 MME (0.54) MMEACEPOLBCTSBMEN1
SCHEMBL8451282 0.94 MME (0.58) MMEACEPOLBCTSBMEN1
SCHEMBL8446409 0.92 MME (0.60) MMEACEPOLBCTSBMEN1
SCHEMBL8447177 0.88 MME (0.62) MMEACEPOLBCTSBMEN1
SCHEMBL7575097 0.88 MME (0.71) MMEACE
SCHEMBL7575104 0.88 MME (0.71) MMEACE
SCHEMBL8452236 0.88 MME (0.53) MMEACECTSB
SCHEMBL8447089 0.88 MME (0.51) MMEACEPOLBCTSBMEN1
SCHEMBL8447122 0.88 MME (0.57) MMEACEPOLBCTSBMEN1
SCHEMBL8450243 0.88 MME (0.57) MMEACEPOLBCTSBMEN1

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