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Sugi Predict / Compounds / D-Phenylalanine

D-Phenylalanine

D-Phenylalanine

SCHEMBL8498797

CC(C)C[C@@H](N)C(=O)O.CC(C)[C@@H](N)C(=O)O.N[C@H](Cc1ccccc1)C(=O)O.O=C(CCc1ccc(O)cc1)N[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.59

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.50
▸ FOLH1 Q04609 1/20 0.50
▸ ITGB3 P05106 1/20 0.48
▸ ITGA2B P08514 1/20 0.48
▸ LTA4H P09960 1/20 0.47
▸ OPRD1 P41143 7/20 0.47
▸ OPRM1 P35372 5/20 0.47
▸ GRIA1 P42261 1/20 0.47
▸ OPRK1 P41145 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
Leucine SCHEMBL27706425 0.88 ACE (0.59) ACEITGB3ITGA2BLTA4H
D-Phenylalanine SCHEMBL8501654 0.85 OPRD1 (0.53) ACEFOLH1ITGB3ITGA2BOPRD1
D-Phenylalanine SCHEMBL8501652 0.85 OPRD1 (0.53) ACEFOLH1ITGB3ITGA2BOPRD1
Leucine SCHEMBL233943 0.85 ACE (0.56) ACEITGB3ITGA2BLTA4H
Tyrosine SCHEMBL22042334 0.82 SLC7A5 (0.67) FOLH1
Leucine SCHEMBL10531667 0.81 LTA4H (0.58) ACEFOLH1LTA4H
SCHEMBL4147417 0.81 ITGB3 (0.62) ACEFOLH1ITGB3ITGA2BGRIA1
SCHEMBL4147924 0.81 ITGB3 (0.62) ACEFOLH1ITGB3ITGA2BGRIA1
SCHEMBL4147927 0.81 ITGB3 (0.62) ACEFOLH1ITGB3ITGA2BGRIA1
SCHEMBL4147413 0.81 ITGB3 (0.62) ACEFOLH1ITGB3ITGA2BGRIA1

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-0929574-A1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS Praecis Pharmaceuticals Incorporated (US) 1999-07-21 — — EP claimed
WO-1998008868-A9 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS — 1998-05-28 — — WO claimed
WO-1998008868-A1 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 1998-03-05 — — WO claimed