SCHEMBL5132528

SCHEMBL5132528

CC(C)(C)c1nc2cc(CCS(N)(=O)=O)ccc2n1CC1CCC(F)(F)CC1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.65
CNR1 P21554 4/20 0.65
KCNH2 Q12809 1/20 0.53

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
SCHEMBL5132524 0.82 CNR2 (0.69) CNR2CNR1KCNH2
SCHEMBL584425 0.81 CNR2 (0.67) CNR2CNR1KCNH2
SCHEMBL1609270 0.81 CNR2 (0.69) CNR2CNR1KCNH2
SCHEMBL584109 0.79 CNR2 (1.00) CNR2CNR1KCNH2
SCHEMBL583386 0.78 CNR2 (1.00) CNR2CNR1KCNH2
SCHEMBL585484 0.78 CNR2 (0.84) CNR2CNR1KCNH2
SCHEMBL5189054 0.78 CNR2 (0.61) CNR2CNR1KCNH2
SCHEMBL1608949 0.78 CNR2 (0.63) CNR2CNR1KCNH2
SCHEMBL584424 0.78 CNR2 (0.88) CNR2CNR1KCNH2
SCHEMBL1609630 0.77 CNR2 (0.65) CNR2CNR1KCNH2

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-2001856-A1 CRYSTALLINE FORMS OF N- {2-TERT -BUTYL -1- [ (4,4- DIF LUOROCYCLOHEXYL) METHYL]-LH-BENZIMIDAZOL-5- YL}ETHANESULFONAMIDE SALTS AstraZeneca AB (SE) 2008-12-17 EP disclosed
WO-2007108754-A1 CRYSTALLINE FORMS OF N- {2-TERT -BUTYL -1- [ (4,4- DIF LUOROCYCLOHEXYL) METHYL] -LH-BENZIMIDAZOL-5- YL}ETHANESULFONAMIDE SALTS ASTRAZENECA AB (SE) 2007-09-27 WO disclosed