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Valine

Valine

SCHEMBL8084582

CC(C)C[C@H](N)C(=O)OC(=O)[C@@H](N)CCCNC(=N)N.CC(C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)OC[C@H](N)C(=O)O

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 11/20 0.37
▸ NPY1R P25929 6/20 0.37
▸ NPY2R P49146 4/20 0.35
▸ NPY5R Q15761 4/20 0.35
▸ SLC7A5 Q01650 1/20 0.31
▸ ANPEP P15144 2/20 0.31
▸ RNPEP Q9H4A4 2/20 0.31
▸ DNPEP Q9ULA0 1/20 0.31

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
Arginine SCHEMBL5063567 0.84 NPY4R (0.35) NPY4RNPY1RNPY2RNPY5RSLC7A5
Arginine SCHEMBL16679102 0.84 SLC7A5 (0.41) NPY4RNPY1RNPY2RNPY5RSLC7A5
Arginine SCHEMBL16679101 0.84 SLC7A5 (0.41) NPY4RNPY1RNPY2RNPY5RSLC7A5
Arginine SCHEMBL15201550 0.83 NPY4R (0.37) NPY4RNPY1RNPY2RNPY5RSLC7A5
Arginine SCHEMBL1930648 0.82 — —
SCHEMBL1537319 0.82 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5R
SCHEMBL6241648 0.82 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5R
SCHEMBL6241413 0.82 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5R
Arginine SCHEMBL6568441 0.81 SLC7A5 (0.44) NPY4RNPY1RNPY2RNPY5RSLC7A5
Arginine SCHEMBL6568443 0.81 SLC7A5 (0.44) NPY4RNPY1RNPY2RNPY5RSLC7A5

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-0751950-B1 METHOD FOR IDENTIFYING MEMBERS OF COMBINATORIAL LIBRARIES PENN STATE RES FOUND (US) 2000-10-25 — — EP disclosed
US-5834195-A DETERMINATING MOLECULAR WEIGHT THE PENN STATE RESEARCH FOUNDATION (US) 1998-11-10 — — US disclosed
EP-0751950-A1 METHOD FOR IDENTIFYING MEMBERS OF COMBINATORIAL LIBRARIES THE PENN STATE RESEARCH FOUNDATION (US) 1997-01-08 — — EP disclosed
WO-1995025737-A1 METHOD FOR IDENTIFYING MEMBERS OF COMBINATORIAL LIBRARIES THE PENN STATE RESEARCH FOUNDATION (US) 1995-09-28 — — WO disclosed