SCHEMBL7572563

SCHEMBL7572563

CC(C)CN(CC(CCc1ccccc1)C(=O)Oc1ccc2c(c1)CCC2)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.58
ACE P12821 13/20 0.58
CPA1 P15085 2/20 0.40
ACE2 Q9BYF1 2/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
CDC25B P30305 1/20 0.39
PIN1 Q13526 3/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL7572570 1.00 MME (0.58) MMEACECPA1ACE2PTPN2
SCHEMBL8449499 0.93 MME (0.49) MMEACEPTPN1
SCHEMBL7574128 0.93 MME (0.53) MMEACECPA1ACE2
SCHEMBL7570073 0.93 MME (0.53) MMEACECPA1ACE2
SCHEMBL8017192 0.90 MME (0.70) MMEACECPA1ACE2PIN1
SCHEMBL7566387 0.88 MME (0.55) MMEACECPA1ACE2
SCHEMBL7566393 0.88 MME (0.55) MMEACECPA1ACE2
SCHEMBL8451433 0.87 MME (0.49) MMEACECPA1ACE2
SCHEMBL7569417 0.87 MME (0.56) MMEACECPA1ACE2
SCHEMBL7569408 0.87 MME (0.56) 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