SCHEMBL11025311

SCHEMBL11025311

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.55
YARS1 P54577 2/20 0.53
OPRD1 P41143 5/20 0.52
OPRM1 P35372 4/20 0.52
OPRK1 P41145 1/20 0.52
CTSC P53634 1/20 0.51
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
BACE1 P56817 2/20 0.48
MME P08473 1/20 0.47

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
SCHEMBL11027926 1.00 SLC7A5 (0.55) SLC7A5YARS1OPRD1OPRM1OPRK1
SCHEMBL11026872 0.93 CTSC (0.57) SLC7A5CTSCALPIPKMPTGS1
SCHEMBL19750992 0.89 SLC7A5 (0.54) SLC7A5YARS1OPRD1OPRM1OPRK1
SCHEMBL11220250 0.86 OPRD1 (0.58) OPRD1OPRM1OPRK1
SCHEMBL10626606 0.84 MMP2 (0.57) SLC7A5CTSCALPIPKMPTGS1
SCHEMBL3134765 0.83 CTSC (0.56) SLC7A5OPRD1OPRK1CTSCALPI
Phenylalanyltyrosine SCHEMBL4282059 0.82 MME (0.67) SLC7A5OPRD1OPRM1OPRK1MME
SCHEMBL8695556 0.82 MME (0.67) SLC7A5OPRD1OPRM1OPRK1MME
SCHEMBL29511618 0.82 MME (0.67) SLC7A5OPRD1OPRM1OPRK1MME
Phenylalanyltyrosine SCHEMBL3037096 0.82 MME (0.67) SLC7A5OPRD1OPRM1OPRK1MME

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 4 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 claimed
US-4474764-A ANALGESICS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1984-10-02 US claimed
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 claimed
US-4474764-A ANALGESICS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1984-10-02 US disclosed