SCHEMBL3813627

SCHEMBL3813627

CC(=O)OC1(CNC(=O)OC(C)(C)OC(C)=O)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.32
EPHX1 P07099 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
SCHEMBL3813302 0.91 HCRTR2 (0.30) HCRTR2
SCHEMBL3810910 0.89 HCRTR2 (0.30) HCRTR2
SCHEMBL4757164 0.89 HCRTR2 (0.30) HCRTR2
SCHEMBL27554172 0.88 HCRTR2 (0.41) HCRTR2EPHX1
SCHEMBL3809387 0.87 LMNA (0.34)
SCHEMBL6882845 0.83 CYP2D6 (0.36)
SCHEMBL16667031 0.80 HCRTR2 (0.41) HCRTR2EPHX1
SCHEMBL27485317 0.78 TSHR (0.39)
SCHEMBL26101 0.78 ALDH1A1 (0.41)
SCHEMBL5046422 0.78 P2RX7 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2101752-A1 USE OF PRODRUGS OF GABA ANALOGS FOR TREATING DISEASES Xenoport, Inc. (US) 2009-09-23 EP disclosed
EP-2086530-A1 USE OF GABAPENTIN AND PREGABALIN PRODRUGS FOR TREATING TINNITUS Xenoport, Inc. (US) 2009-08-12 EP disclosed
WO-2008157408-A2 USE OF PRODRUGS OF GABA ANALOGS, ANTISPASTICITY AGENTS, AND PRODRUGS OF GABA B RECEPTOR AGONISTS FOR TREATING SPASTICITY XENOPORT, INC. (US) 2008-12-24 WO disclosed
WO-2008073257-A1 USE OF PRODRUGS OF GABA ANALOGS FOR TREATING DISEASES XENOPORT, INC. (US) 2008-06-19 WO disclosed
WO-2008060572-A1 USE OF GABAPENTIN AND PREGABALIN PRODRUGS FOR TREATING TINNITUS XENOPORT, INC. (US) 2008-05-22 WO disclosed
WO-2007027477-A2 TREATING VULVODYNIA USING PRODRUGS OF GABA ANALOGS XENOPORT, INC. (US) 2007-03-08 WO disclosed