SCHEMBL7566012

SCHEMBL7566012

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

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.71
ACE P12821 13/20 0.69
CPA1 P15085 2/20 0.52
ACE2 Q9BYF1 2/20 0.52
PIN1 Q13526 3/20 0.46
TACR1 P25103 1/20 0.44

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
SCHEMBL7574270 0.91 MME (0.70) MMEACECPA1ACE2TACR1
SCHEMBL8446447 0.91 MME (0.59) MMEACECPA1ACE2TACR1
SCHEMBL7568461 0.91 MME (0.67) MMEACECPA1ACE2PIN1
SCHEMBL7567122 0.89 MME (0.81) MMEACECPA1ACE2PIN1
SCHEMBL7568214 0.89 MME (0.81) MMEACECPA1ACE2PIN1
SCHEMBL7565484 0.88 MME (0.67) MMEACECPA1ACE2
SCHEMBL7568921 0.88 MME (0.70) MMEACECPA1ACE2PIN1
SCHEMBL8027544 0.87 MME (0.83) MMEACECPA1ACE2PIN1
SCHEMBL27441337 0.87 MME (0.83) MMEACECPA1ACE2PIN1
SCHEMBL8018074 0.87 MME (0.83) MMEACECPA1ACE2PIN1

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