SCHEMBL7575431

SCHEMBL7575431

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

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.67
ACE P12821 13/20 0.67
CPA1 P15085 2/20 0.48
ACE2 Q9BYF1 2/20 0.48
PIN1 Q13526 1/20 0.43
LPAR1 Q92633 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
CDC25B P30305 1/20 0.43
TACR1 P25103 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41

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
SCHEMBL7575443 1.00 MME (0.67) MMEACECPA1ACE2PIN1
SCHEMBL7567514 0.91 MME (0.74) MMEACECPA1ACE2PIN1
SCHEMBL7569444 0.91 MME (0.74) MMEACECPA1ACE2PIN1
SCHEMBL7569434 0.91 MME (0.74) MMEACECPA1ACE2PIN1
SCHEMBL8446416 0.91 MME (0.55) MMEACECPA1ACE2PTPN1
SCHEMBL7566353 0.90 MME (0.64) MMEACECPA1ACE2LPAR1
SCHEMBL7566357 0.90 MME (0.64) MMEACECPA1ACE2LPAR1
SCHEMBL7566348 0.90 ACE (0.65) MMEACECPA1ACE2PTPN2
SCHEMBL7565990 0.88 MME (0.61) MMEACECPA1ACE2PTPN2
SCHEMBL7566002 0.88 MME (0.61) MMEACECPA1ACE2PTPN2

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