SCHEMBL8447133

SCHEMBL8447133

CC(=O)NCCOC(=O)[C@@H](CCc1ccccc1)CN(CC(C)C)C(=O)N[C@H](C(=O)O)C(Cc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.42
ACE P12821 4/20 0.42
MTNR1A P48039 6/20 0.39
MTNR1B P49286 6/20 0.39
CPA1 P15085 2/20 0.39
CPA2 P48052 2/20 0.39
CPA4 Q9UI42 2/20 0.39
UTS2R Q9UKP6 2/20 0.36
CTSB P07858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL8453137 0.91 MME (0.43) MMEACECPA1CPA2CPA4
SCHEMBL8446482 0.87 MME (0.49) MMEACECPA1CPA2CPA4
SCHEMBL8450826 0.86 MME (0.44) MMEACECPA1CPA2CPA4
SCHEMBL8447142 0.85 MME (0.47) MMEACEUTS2RCTSBCYP3A4
SCHEMBL7565990 0.84 MME (0.61) MMEACEMTNR1AMTNR1BCPA1
SCHEMBL7566002 0.84 MME (0.61) MMEACEMTNR1AMTNR1BCPA1
SCHEMBL8446429 0.84 MME (0.46) MMEACECTSB
SCHEMBL8449483 0.84 MME (0.42) MMEACEUTS2RMMP3
SCHEMBL8450113 0.83 MME (0.43) MMEACEUTS2RCTSBMMP3
SCHEMBL8447131 0.81 MME (0.52) MMEACEMTNR1AMTNR1BCPA1

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