SCHEMBL8448452

SCHEMBL8448452

CC(C)CN(CC(O)C(=O)O)C(=O)NC(Cc1ccc2ccccc2c1)C(N)=O

nearest known ligand 0.86

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.86
ACE P12821 13/20 0.86
FCER2 P06734 3/20 0.51
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
MMP9 P14780 3/20 0.43
MMP8 P22894 2/20 0.43
MMP3 P08254 1/20 0.43

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
SCHEMBL8029483 1.00 MME (0.86) MMEACEFCER2CPA1ACE2
SCHEMBL8032612 0.94 MME (0.76) MMEACEFCER2CPA1ACE2
SCHEMBL8018079 0.93 MME (1.00) MMEACECPA1ACE2
SCHEMBL8030485 0.93 MME (1.00) MMEACECPA1ACE2
SCHEMBL6440662 0.93 MME (1.00) MMEACECPA1ACE2
SCHEMBL8032890 0.93 MME (1.00) MMEACECPA1ACE2
SCHEMBL8027151 0.93 MME (1.00) MMEACECPA1ACE2
SCHEMBL6440665 0.93 MME (1.00) MMEACECPA1ACE2
SCHEMBL8033744 0.93 MME (1.00) MMEACECPA1ACE2
SCHEMBL8027474 0.92 MME (0.74) MMEACEFCER2CPA1ACE2

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
US-5891912-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-04-06 US disclosed
CN-1138321-A 1, 3-dialkyl urea derivative with hydrocarbon group SANTAN PHARMACEUTICAL CO LTD (JP) 1996-12-18 CN disclosed