SCHEMBL8451268

SCHEMBL8451268

O=C(OCc1ccccc1)C(CCc1ccccc1)CN(Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.46
ACE P12821 3/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
PTGES O14684 1/20 0.43
TACR1 P25103 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
MBTPS1 Q14703 1/20 0.41
LPAR1 Q92633 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP3 P08254 1/20 0.40
ANPEP P15144 1/20 0.40
CTSL P07711 1/20 0.40
MMP12 P39900 1/20 0.40

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
SCHEMBL7567864 0.95 ACE (0.51) MMEACECPA1ACE2PTGES
SCHEMBL7567868 0.95 ACE (0.51) MMEACECPA1ACE2PTGES
SCHEMBL8447122 0.90 MME (0.57) MMEACECPA1ACE2TACR1
SCHEMBL8450243 0.90 MME (0.57) MMEACECPA1ACE2TACR1
SCHEMBL8449552 0.89 ACE (0.50) MMEACEPTGESTACR1CTSL
SCHEMBL8446494 0.87 MME (0.53) MMEACECPA1ACE2TACR1
SCHEMBL8451243 0.87 MME (0.53) MMEACECPA1ACE2TACR1
SCHEMBL8450814 0.87 MME (0.46) MMEACECPA1ACE2TACR1
SCHEMBL27446254 0.86 ACE (0.55) MMEACEPTGESTACR1ALDH1A1
SCHEMBL8452660 0.86 MME (0.52) MMEACECPA1TACR1MBTPS1

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