SCHEMBL9861325

SCHEMBL9861325

N[C@@H](Cc1ccccc1)C(=O)N(CCC(=O)O)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 1/20 0.54
SLC7A5 Q01650 2/20 0.53
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
LTA4H P09960 2/20 0.51
CPA3 P15088 1/20 0.44
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
MC4R P32245 1/20 0.42
MC5R P33032 1/20 0.42
MC3R P41968 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
KEAP1 Q14145 1/20 0.41
CTSC P53634 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
SCHEMBL3259767 0.83 ALPI (0.49) SLC15A1SLC7A5ALPIPKMPTGS1
SCHEMBL8821943 0.80 SLC15A1 (0.52) SLC15A1SLC7A5ALPIPKMPTGS1
SCHEMBL10584413 0.79 SLC7A5 (0.62) SLC15A1SLC7A5ALPIPKMPTGS1
SCHEMBL9716075 0.78 ALPI (0.49) SLC15A1SLC7A5ALPIPKMPTGS1
SCHEMBL5691566 0.77 ALPI (0.42) SLC15A1SLC7A5ALPIPKMPTGS1
SCHEMBL4481943 0.77 ALPI (0.42) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL28417004 0.77 ALPI (0.42) SLC15A1SLC7A5ALPIPKMPTGS1
SCHEMBL27652945 0.77 SLC15A1 (0.52) SLC15A1SLC7A5ALPIPKMPTGS1
SCHEMBL28440257 0.75 SLC7A5 (0.57) SLC15A1SLC7A5ALPIPKMPTGS1
SCHEMBL28440256 0.75 SLC7A5 (0.57) SLC15A1SLC7A5ALPIPKMPTGS1

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-0415693-A1 Composition and method for selective enhancement of opiate activity and reduction of opiate tolerance and dependence ARIZONA TECHNOLOGY DEVELOPMENT CORPORATION (US) 1991-03-06 EP disclosed