Valine

Valine

SCHEMBL6854557

CC(C)[C@H](N)C(=O)O.COc1ccc([C@@H]2CC(=O)N(Cc3cccc(F)c3F)C2)cc1OC1CCCC1

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.60
PDE4B Q07343 15/20 0.57
PDE4C Q08493 5/20 0.57
PDE4D Q08499 5/20 0.57

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
SCHEMBL3552599 0.90 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL3545951 0.90 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL3547079 0.90 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
Valine SCHEMBL5757832 0.86 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL3549106 0.83 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL5793912 0.83 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL3545145 0.83 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL3544872 0.81 PDE4A (0.74) PDE4APDE4BPDE4CPDE4D
SCHEMBL5758337 0.81 PDE4A (0.74) PDE4APDE4BPDE4CPDE4D
SCHEMBL3539935 0.81 PDE4A (0.74) 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-1435944-A1 4(4-ALKOXY-3-HYDROXYPHENYL)-2-PYRROLIDONE DERIVATIVES AS PDE-4 INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL SYNDROMES Memory Pharmaceutical Corporation (US) 2004-07-14 EP disclosed
WO-2003032981-A1 4-(4-ALKOXY-3-HYDROXYPHENYL)-2-PYRROLIDONE DERIVATIVES AS PDE-4 INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL SYNDROMES MEMORY PHARMACEUTICALS CORPORATION (US) 2003-04-24 WO disclosed