SCHEMBL7568461

SCHEMBL7568461

CCCCOC(=O)CCN(CC(C)C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.67
ACE P12821 12/20 0.65
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
PIN1 Q13526 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
SCHEMBL8446488 0.91 MME (0.56) MMEACE
SCHEMBL7566012 0.91 MME (0.71) MMEACECPA1ACE2PIN1
SCHEMBL7566956 0.89 MME (0.62) MMEACECPA1ACE2ITGB1
SCHEMBL8028693 0.88 MME (0.77) MMEACECPA1ACE2ITGB1
SCHEMBL6439617 0.88 MME (0.77) MMEACECPA1ACE2ITGB1
SCHEMBL6439615 0.88 MME (0.77) MMEACECPA1ACE2ITGB1
SCHEMBL8511466 0.88 MME (0.77) MMEACECPA1ACE2ITGB1
SCHEMBL7574270 0.88 MME (0.70) MMEACECPA1ACE2
SCHEMBL7568214 0.86 MME (0.81) MMEACECPA1ACE2PIN1
SCHEMBL7567122 0.86 MME (0.81) 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