SCHEMBL6056302

SCHEMBL6056302

NCC(C1CCCCCC1)P(=O)(O)O.NCC1(CS(=O)(=O)O)C2CC3CC(C2)CC1C3

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.30

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
SCHEMBL5402720 0.78 KCNH2 (0.35)
SCHEMBL6056295 0.76 USP2 (0.31)
SCHEMBL5394744 0.75 TP53 (0.48) EPHX1
SCHEMBL5388081 0.75 TP53 (0.48) EPHX1
SCHEMBL7429193 0.74
SCHEMBL5394771 0.73 TP53 (0.45) EPHX1
SCHEMBL5398106 0.67 LMNA (0.30)
SCHEMBL5387093 0.66 GAA (0.33)
SCHEMBL5398051 0.64 GRIN2D (0.32)
SCHEMBL5528741 0.61 ALDH1A1 (0.34) EPHX1

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-1675582-A1 COMBINATION COMPRISING AN ALPHA-2-DELTA LIGAND AND AN SSRI AND/OR SNRI FOR TREATMENT OF DEPRESSION AND ANXIETY DISORDERS Warner-Lambert Company LLC (US) 2006-07-05 EP disclosed
WO-2005025563-A1 COMBINATION COMPRISING AN ALPHA-2-DELTA LIGAND AND AN SSRI AND/OR SNRI FOR TREATMENT OF DEPRESSION AND ANXIETY DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed
EP-1047678-A1 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Warner-Lambert Company LLC (US) 2000-11-02 EP disclosed
WO-1999031075-A1 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS WARNER-LAMBERT COMPANY (US) 1999-06-24 WO disclosed