SCHEMBL7567864

SCHEMBL7567864

O=C(OCc1ccccc1)C(CCc1ccccc1)CN(Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.51
MME P08473 7/20 0.51
CPA1 P15085 3/20 0.51
ACE2 Q9BYF1 3/20 0.51
LPAR1 Q92633 1/20 0.46
PTPN1 P18031 1/20 0.43
GPR34 Q9UPC5 2/20 0.43
PTGES O14684 1/20 0.43
ECE1 P42892 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGAV P06756 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
SCHEMBL7567868 1.00 ACE (0.51) ACEMMECPA1ACE2LPAR1
SCHEMBL8451268 0.95 MME (0.46) ACEMMECPA1ACE2LPAR1
SCHEMBL7568928 0.90 MME (0.64) ACEMMECPA1ACE2GPR34
SCHEMBL7568368 0.90 MME (0.64) ACEMMECPA1ACE2GPR34
SCHEMBL7568362 0.90 MME (0.64) ACEMMECPA1ACE2GPR34
SCHEMBL7573623 0.90 ACE (0.57) ACEMMECPA1ACE2LPAR1
SCHEMBL7573630 0.90 ACE (0.57) ACEMMECPA1ACE2LPAR1
SCHEMBL7573808 0.90 ACE (0.56) ACEMMECPA1ACE2LPAR1
SCHEMBL7573818 0.90 ACE (0.56) ACEMMECPA1ACE2LPAR1
SCHEMBL7569380 0.87 ACE (0.52) ACEMMECPA1ACE2GPR34

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 2 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
EP-0798291-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1997-10-01 EP disclosed