SCHEMBL7566002

SCHEMBL7566002

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.61
ACE P12821 12/20 0.61
CPA1 P15085 2/20 0.43
CPA2 P48052 1/20 0.43
CPA4 Q9UI42 1/20 0.43
ACE2 Q9BYF1 1/20 0.42
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
TACR1 P25103 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
CDC25B P30305 1/20 0.40

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
SCHEMBL7565990 1.00 MME (0.61) MMEACECPA1CPA2CPA4
SCHEMBL8447131 0.93 MME (0.52) MMEACECPA1CPA2CPA4
SCHEMBL7566998 0.91 MME (0.58) MMEACECPA1CPA2CPA4
SCHEMBL7567007 0.91 MME (0.58) MMEACECPA1CPA2CPA4
SCHEMBL8017245 0.89 MME (0.75) MMEACECPA1ACE2TACR1
SCHEMBL7575443 0.88 MME (0.67) MMEACECPA1ACE2TACR1
SCHEMBL7575431 0.88 MME (0.67) MMEACECPA1ACE2TACR1
SCHEMBL7569444 0.86 MME (0.74) MMEACECPA1ACE2
SCHEMBL7567514 0.86 MME (0.74) MMEACECPA1ACE2
SCHEMBL7569434 0.86 MME (0.74) MMEACECPA1ACE2

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