Sugi Predict

Sugi Predict / Compounds / Valine

Valine

Valine

SCHEMBL5757832

CC(C)[C@H](N)C(=O)O.COc1ccc(C2CC(=O)N(Cc3ccc(F)cc3Cl)C2)cc1OC1CCCC1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 11/20 0.59
▸ PDE4B Q07343 15/20 0.58
▸ PDE4C Q08493 6/20 0.58
▸ PDE4D Q08499 6/20 0.58

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
SCHEMBL3541125 0.90 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL3550953 0.90 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL3545655 0.90 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
Valine SCHEMBL6854557 0.86 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL3552644 0.82 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL5793861 0.82 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL3541473 0.82 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL3545707 0.79 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL3538653 0.79 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL5197260 0.79 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613590-A2 4-(3,4-DISUBSTITUTED PHENYL)-PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2006-01-11 — — EP disclosed
WO-2004094375-A2 4 - (3,4 - DISUBSTITUTED PHENYL) - PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 — — WO disclosed