SCHEMBL8449150

SCHEMBL8449150

CCOC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)N(CC(C)C)CC(CCc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.58
ACE P12821 7/20 0.58
MMP3 P08254 3/20 0.44
CPA1 P15085 2/20 0.44
ACE2 Q9BYF1 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
CPA2 P48052 1/20 0.42
CPA4 Q9UI42 1/20 0.42
TP53 P04637 1/20 0.41
LPAR1 Q92633 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
SCHEMBL8449902 0.93 MME (0.58) MMEACEMMP3CPA1ACE2
SCHEMBL7566353 0.93 MME (0.64) MMEACEMMP3CPA1ACE2
SCHEMBL7566357 0.93 MME (0.64) MMEACEMMP3CPA1ACE2
SCHEMBL8451243 0.92 MME (0.53) MMEACEMMP3CPA1ACE2
SCHEMBL8446494 0.92 MME (0.53) MMEACEMMP3CPA1ACE2
SCHEMBL8453223 0.90 MME (0.52) MMEACEMMP3
SCHEMBL7568387 0.90 MME (0.71) MMEACECPA1ACE2
SCHEMBL7572405 0.90 MME (0.71) MMEACECPA1ACE2
SCHEMBL7572401 0.90 MME (0.71) MMEACECPA1ACE2
SCHEMBL7567269 0.90 MME (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed