SCHEMBL7568978

SCHEMBL7568978

CC(C)CN(CCC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.78
ACE P12821 8/20 0.78
CPA1 P15085 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
HRH4 Q9H3N8 1/20 0.49
MMP9 P14780 3/20 0.47
MMP8 P22894 2/20 0.47
MMP14 P50281 1/20 0.47
FOLH1 Q04609 1/20 0.45
MMP2 P08253 1/20 0.44
CTNNB1 P35222 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 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
SCHEMBL8017267 0.88 MME (1.00) MMEACECPA1ACE2HRH4
SCHEMBL7567320 0.87 MME (0.66) MMEACECPA1ACE2HRH4
SCHEMBL8027102 0.85 MME (0.86) MMEACECPA1ACE2HRH4
SCHEMBL7568168 0.84 MME (0.60) MMEACECPA1ACE2MEN1
SCHEMBL7566349 0.84 MME (0.57) MMEACECPA1ACE2MEN1
SCHEMBL8029453 0.84 MME (0.84) MMEACECPA1ACE2HRH4
SCHEMBL8017444 0.83 MME (0.83) MMEACECPA1ACE2HRH4
SCHEMBL7567832 0.83 MME (0.73) MMEACECPA1ACE2HRH4
SCHEMBL7567827 0.83 MME (0.73) MMEACECPA1ACE2HRH4
SCHEMBL27543297 0.83 MME (0.70) MMEACECPA1ACE2HRH4

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