SCHEMBL7566401

SCHEMBL7566401

COc1ccccc1OC(=O)C(CCc1ccccc1)CN(CC(C)C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.62
ACE P12821 12/20 0.62
LPAR1 Q92633 2/20 0.46
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
PIN1 Q13526 1/20 0.42
FPR2 P25090 1/20 0.42
MMP3 P08254 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
SCHEMBL7566406 1.00 MME (0.62) MMEACELPAR1CPA1ACE2
SCHEMBL8449480 0.93 MME (0.53) MMEACELPAR1
SCHEMBL7566362 0.91 MME (0.59) MMEACELPAR1CPA1ACE2
SCHEMBL7566370 0.91 MME (0.59) MMEACELPAR1CPA1ACE2
SCHEMBL8030959 0.89 MME (0.76) MMEACELPAR1CPA1ACE2
SCHEMBL7566348 0.87 ACE (0.65) MMEACECPA1ACE2
SCHEMBL7575443 0.87 MME (0.67) MMEACELPAR1CPA1ACE2
SCHEMBL7575431 0.87 MME (0.67) MMEACELPAR1CPA1ACE2
SCHEMBL7567514 0.87 MME (0.74) MMEACECPA1ACE2PIN1
SCHEMBL7569444 0.87 MME (0.74) MMEACECPA1ACE2PIN1

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