SCHEMBL3889697

SCHEMBL3889697

CC(C)C([O])OCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 6/20 0.38
SLC1A2 P43004 6/20 0.38
SLC1A1 P43005 6/20 0.38

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
SCHEMBL4592750 0.80
SCHEMBL18883524 0.74 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1
SCHEMBL18883522 0.74 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1
SCHEMBL12541302 0.74 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1
SCHEMBL13452 0.74
SCHEMBL4603372 0.71
SCHEMBL18997088 0.71 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1
SCHEMBL4592508 0.71
SCHEMBL8074004 0.70 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1
SCHEMBL8069332 0.70 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1

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
WO-2009145721-A1 ISOINDOLINE DERIVATIVES COMPRISING PHENYL GROUPS AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-12-03 WO disclosed
WO-2009145718-A1 ISOINDOLINE DERIVATIVES COMPRISING AN ADDITIONAL HETEROCYCLIC GROUP AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-12-03 WO disclosed