SCHEMBL7569398

SCHEMBL7569398

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.53
ACE P12821 8/20 0.53
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
TACR1 P25103 1/20 0.47
PTPN1 P18031 2/20 0.46
PTPN2 P17706 1/20 0.46
CDC25B P30305 1/20 0.46
CPA1 P15085 2/20 0.46
ACE2 Q9BYF1 2/20 0.46
PIN1 Q13526 3/20 0.43
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
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
SCHEMBL7569388 1.00 MME (0.53) MMEACECTSLCTSBCTSS
SCHEMBL8450193 0.95 TACR1 (0.52) MMEACECTSLCTSBCTSS
SCHEMBL7568225 0.90 MME (0.57) MMEACEPTPN1PTPN2CDC25B
SCHEMBL7568219 0.90 MME (0.57) MMEACEPTPN1PTPN2CDC25B
SCHEMBL7573818 0.89 ACE (0.56) MMEACECTSLCTSBCTSS
SCHEMBL7573808 0.89 ACE (0.56) MMEACECTSLCTSBCTSS
SCHEMBL7569380 0.89 ACE (0.52) MMEACECTSLCPA1ACE2
SCHEMBL7569374 0.89 ACE (0.52) MMEACECTSLCPA1ACE2
SCHEMBL8017170 0.88 MME (0.61) MMEACECTSLCTSBCTSS
SCHEMBL8449552 0.84 ACE (0.50) MMEACECTSLCTSBCTSS

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