SCHEMBL8449902

SCHEMBL8449902

CC(C)CN(CC(CCc1ccccc1)C(=O)O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.58
ACE P12821 7/20 0.58
MMP3 P08254 4/20 0.44
CPA1 P15085 2/20 0.44
ACE2 Q9BYF1 2/20 0.44
CPA2 P48052 1/20 0.44
CPA4 Q9UI42 1/20 0.44
CTSB P07858 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TACR1 P25103 1/20 0.42
MBTPS1 Q14703 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
SCHEMBL8448662 0.95 MME (0.57) MMEACEMMP3CPA1ACE2
SCHEMBL8450243 0.95 MME (0.57) MMEACEMMP3CPA1ACE2
SCHEMBL8447122 0.95 MME (0.57) MMEACEMMP3CPA1ACE2
SCHEMBL8452877 0.94 MME (0.56) MMEACEMMP3CPA1ACE2
SCHEMBL8446409 0.94 MME (0.60) MMEACECPA1ACE2CTSB
SCHEMBL8451262 0.93 MME (0.54) MMEACEMMP3CPA1ACE2
SCHEMBL7568928 0.93 MME (0.64) MMEACEMMP3CPA1ACE2
SCHEMBL7568362 0.93 MME (0.64) MMEACEMMP3CPA1ACE2
SCHEMBL7568368 0.93 MME (0.64) MMEACEMMP3CPA1ACE2
SCHEMBL8449150 0.93 MME (0.58) MMEACEMMP3CPA1ACE2

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