SCHEMBL8527609

SCHEMBL8527609

CC(O)C(NC(=O)C(N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.43
▸ ECE1 P42892 1/20 0.36
▸ CD274 Q9NZQ7 3/20 0.36
▸ PDCD1LG2 Q9BQ51 2/20 0.36
▸ OPRM1 P35372 2/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ CA2 P00918 3/20 0.34
▸ CA1 P00915 2/20 0.34
▸ PRSS1 P07477 1/20 0.33
▸ TMPRSS15 P98073 1/20 0.33
▸ VSIR Q9H7M9 2/20 0.33
▸ CTSC P53634 1/20 0.33
▸ PDCD1 Q15116 1/20 0.32

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
SCHEMBL29961849 1.00 MME (0.43) MMEECE1CD274PDCD1LG2OPRM1
SCHEMBL8527615 1.00 MME (0.43) MMEECE1CD274PDCD1LG2OPRM1
Water SCHEMBL29655402 0.99 MME (0.43) MMEECE1CD274PDCD1LG2OPRM1
SCHEMBL31453800 0.94 OPRM1 (0.40) MMEECE1CD274PDCD1LG2OPRM1
SCHEMBL30974040 0.92 OPRM1 (0.42) MMEECE1CD274PDCD1LG2OPRM1
SCHEMBL30254475 0.92 OPRM1 (0.39) MMEECE1CD274PDCD1LG2OPRM1
SCHEMBL30997434 0.91 MME (0.38) MMECD274PDCD1LG2OPRM1OPRD1
SCHEMBL8437182 0.91 MME (0.37) MMEECE1CA2CA1
SCHEMBL8437180 0.91 MME (0.37) MMEECE1CA2CA1
SCHEMBL29794242 0.91 MME (0.36) MMEECE1

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
EP-0885899-A1 Method for obtaining peptide fragments by use of fluorinated organic acids SEIKO INSTRUMENTS INC. (JP) 1998-12-23 — — EP disclosed
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