SCHEMBL7573808

SCHEMBL7573808

O=C(OCc1ccccc1)C(CCc1ccccc1)CN(Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.56
MME P08473 9/20 0.55
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
PTPN1 P18031 3/20 0.46
PTPN2 P17706 1/20 0.46
CDC25B P30305 1/20 0.46
TACR1 P25103 1/20 0.45
LPAR1 Q92633 1/20 0.44
CPA1 P15085 2/20 0.44
ACE2 Q9BYF1 2/20 0.44
F2 P00734 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
SCHEMBL7573818 1.00 ACE (0.56) ACEMMECTSLCTSBCTSS
SCHEMBL8449552 0.95 ACE (0.50) ACEMMECTSLCTSBCTSS
SCHEMBL7569381 0.90 ACE (0.64) ACEMMEPTPN1PTPN2CDC25B
SCHEMBL7569373 0.90 ACE (0.64) ACEMMEPTPN1PTPN2CDC25B
SCHEMBL7567868 0.90 ACE (0.51) ACEMMEPTPN1LPAR1CPA1
SCHEMBL7567864 0.90 ACE (0.51) ACEMMEPTPN1LPAR1CPA1
SCHEMBL7569388 0.89 MME (0.53) ACEMMECTSLCTSBCTSS
SCHEMBL7569398 0.89 MME (0.53) ACEMMECTSLCTSBCTSS
SCHEMBL8027188 0.89 ACE (0.67) ACEMMECTSLCTSBCTSS
SCHEMBL8451268 0.85 MME (0.46) ACEMMECTSLTACR1LPAR1

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