SCHEMBL7570165

SCHEMBL7570165

CC(C)CN(CCC(=O)NO)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.71
ACE P12821 12/20 0.71
ACE2 Q9BYF1 6/20 0.52
CPA1 P15085 5/20 0.52
HDAC1 Q13547 4/20 0.51
HDAC6 Q9UBN7 4/20 0.51
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP7 P09237 1/20 0.49
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49
MMP8 P22894 1/20 0.47

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
SCHEMBL7569084 0.92 MME (0.60) MMEACEACE2CPA1HDAC1
SCHEMBL7568906 0.91 MME (0.77) MMEACEACE2CPA1
SCHEMBL7567925 0.91 MME (0.77) MMEACEACE2CPA1
SCHEMBL7567517 0.91 MME (0.77) MMEACEACE2CPA1
SCHEMBL7567474 0.88 MME (0.72) MMEACEACE2CPA1
SCHEMBL8447424 0.87 MME (0.54) MMEACEHDAC1HDAC6MMP2
SCHEMBL7573798 0.87 MME (0.71) MMEACEACE2CPA1
SCHEMBL7575119 0.86 MME (0.73) MMEACEACE2CPA1
SCHEMBL7566049 0.86 MME (0.69) MMEACEACE2CPA1
SCHEMBL7570374 0.85 MME (0.62) MMEACEACE2CPA1HDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798291-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2002-09-11 EP disclosed
US-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0798291-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1997-10-01 EP disclosed