SCHEMBL7566345

SCHEMBL7566345

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.64
ACE P12821 11/20 0.64
CPA1 P15085 4/20 0.49
ACE2 Q9BYF1 4/20 0.49
MMP3 P08254 1/20 0.44
LPAR1 Q92633 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43

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
SCHEMBL7566340 1.00 MME (0.64) MMEACECPA1ACE2MMP3
SCHEMBL7568368 0.93 MME (0.64) MMEACECPA1ACE2MMP3
SCHEMBL7568928 0.93 MME (0.64) MMEACECPA1ACE2MMP3
SCHEMBL7568362 0.93 MME (0.64) MMEACECPA1ACE2MMP3
SCHEMBL7566353 0.93 MME (0.64) MMEACECPA1ACE2MMP3
SCHEMBL7566357 0.93 MME (0.64) MMEACECPA1ACE2MMP3
SCHEMBL7568299 0.92 MME (0.66) MMEACECPA1ACE2MMP3
SCHEMBL7568304 0.92 MME (0.66) MMEACECPA1ACE2MMP3
SCHEMBL7568387 0.90 MME (0.71) MMEACECPA1ACE2
SCHEMBL7572401 0.90 MME (0.71) MMEACECPA1ACE2

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