SCHEMBL7569573

SCHEMBL7569573

CC(C)CN(CC(CCc1ccccc1)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.54
ACE P12821 5/20 0.54
ERAP2 Q6P179 6/20 0.47
LNPEP Q9UIQ6 6/20 0.47
ERAP1 Q9NZ08 4/20 0.47
MMP8 P22894 3/20 0.42
MMP14 P50281 3/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
CTSB P07858 1/20 0.42
MMP3 P08254 1/20 0.41
HPGDS O60760 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL7569584 1.00 MME (0.54) MMEACEERAP2LNPEPERAP1
SCHEMBL8450243 0.94 MME (0.57) MMEACECTSBMMP3CPA1
SCHEMBL8447122 0.94 MME (0.57) MMEACECTSBMMP3CPA1
SCHEMBL8451262 0.93 MME (0.54) MMEACEERAP2LNPEPERAP1
SCHEMBL7568368 0.93 MME (0.64) MMEACEMMP3CPA1ACE2
SCHEMBL7568928 0.93 MME (0.64) MMEACEMMP3CPA1ACE2
SCHEMBL7568362 0.93 MME (0.64) MMEACEMMP3CPA1ACE2
SCHEMBL7575158 0.91 MME (0.60) MMEACEERAP2LNPEPERAP1
SCHEMBL7575163 0.91 MME (0.60) MMEACEERAP2LNPEPERAP1
SCHEMBL8451243 0.90 MME (0.53) MMEACECTSBMMP3CPA1

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