SCHEMBL11039145

SCHEMBL11039145

N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)Cc1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.53
OPRM1 P35372 4/20 0.53
OPRK1 P41145 1/20 0.53
SLC7A5 Q01650 1/20 0.53
CTSC P53634 1/20 0.52
YARS1 P54577 2/20 0.51
MC4R P32245 1/20 0.51
MC3R P41968 1/20 0.51
BACE1 P56817 2/20 0.49

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
SCHEMBL27182753 0.85 SLC7A5 (0.50) OPRD1OPRM1OPRK1SLC7A5YARS1
SCHEMBL29608649 0.82 MME (0.59) OPRD1OPRM1OPRK1
SCHEMBL29802611 0.82 ENPEP (0.60) OPRD1OPRM1OPRK1
SCHEMBL9752001 0.82 MAPK1 (0.62) SLC7A5CTSCMC4RMC3R
SCHEMBL27182846 0.82 MAPK1 (0.62) SLC7A5CTSCMC4RMC3R
SCHEMBL7457031 0.82 MAPK1 (0.62) SLC7A5CTSCMC4RMC3R
SCHEMBL30966066 0.81
SCHEMBL24453079 0.81 MAPK1 (0.69) SLC7A5CTSCMC4RMC3R
SCHEMBL13669592 0.81 MAPK1 (0.69) SLC7A5CTSCMC4RMC3R
SCHEMBL9822661 0.81 SLC7A5 (0.59) OPRD1OPRM1OPRK1SLC7A5YARS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0077274-B1 3-AMINO-2-HYDROXY-4-PHENYLBUTANOIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1985-08-28 EP disclosed
US-4474764-A ANALGESICS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1984-10-02 US disclosed
EP-0077274-A1 3-Amino-2-hydroxy-4-phenylbutanoic acid derivatives and pharmaceutical composition containing the same ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1983-04-20 EP disclosed