SCHEMBL7566539

SCHEMBL7566539

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.54
ACE P12821 4/20 0.54
CTSS P25774 2/20 0.48
CTSK P43235 1/20 0.48
MMP9 P14780 3/20 0.45
MMP8 P22894 3/20 0.45
MMP2 P08253 2/20 0.45
PSEN1 P49768 6/20 0.44
PSEN2 P49810 6/20 0.44
APH1B Q8WW43 6/20 0.44
NCSTN Q92542 6/20 0.44
APH1A Q96BI3 6/20 0.44
PSENEN Q9NZ42 6/20 0.44
HDAC8 Q9BY41 1/20 0.44
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
CTSB P07858 1/20 0.42
BCL2 P10415 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
SCHEMBL7575157 0.91 MME (0.66) MMEACECTSSCTSKCPA1
SCHEMBL7570374 0.88 MME (0.62) MMEACEMMP9MMP8MMP2
SCHEMBL8448671 0.88 MME (0.53) MMEACECTSSCTSKPSEN1
SCHEMBL8449573 0.87 MME (0.52) MMEACECTSSCTSKPSEN1
SCHEMBL7569084 0.86 MME (0.60) MMEACEMMP9MMP8MMP2
SCHEMBL8447424 0.85 MME (0.54) MMEACECTSSCTSKMMP9
SCHEMBL8446415 0.84 MME (0.53) MMEACECTSSCTSKMMP9
SCHEMBL7567643 0.82 MME (0.52) MMEACECTSSCTSKMMP9
SCHEMBL27464914 0.81 MME (0.57) MMEACECTSSCTSKMMP9
SCHEMBL27464915 0.81 MME (0.57) MMEACECTSSCTSKMMP9

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