SCHEMBL7573630

SCHEMBL7573630

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.57
MME P08473 9/20 0.57
ACE2 Q9BYF1 7/20 0.57
CPA1 P15085 5/20 0.57
LPAR1 Q92633 1/20 0.48
PTPN1 P18031 2/20 0.48
PTGES O14684 1/20 0.47

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
SCHEMBL7573623 1.00 ACE (0.57) ACEMMEACE2CPA1LPAR1
SCHEMBL7567864 0.90 ACE (0.51) ACEMMEACE2CPA1LPAR1
SCHEMBL7567868 0.90 ACE (0.51) ACEMMEACE2CPA1LPAR1
SCHEMBL7567269 0.89 MME (0.71) ACEMMEACE2CPA1
SCHEMBL7568387 0.89 MME (0.71) ACEMMEACE2CPA1
SCHEMBL7572401 0.89 MME (0.71) ACEMMEACE2CPA1
SCHEMBL7572405 0.89 MME (0.71) ACEMMEACE2CPA1
SCHEMBL7569373 0.88 ACE (0.64) ACEMMEACE2CPA1LPAR1
SCHEMBL7569381 0.88 ACE (0.64) ACEMMEACE2CPA1LPAR1
SCHEMBL7570145 0.85 MME (0.58) ACEMMEACE2CPA1

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