SCHEMBL6935443

SCHEMBL6935443

CCS(=O)(=O)CCCCCCNC1CC(C)(C)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.33
KDM1A O60341 2/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
SLC6A3 Q01959 2/20 0.31
HTR2C P28335 1/20 0.31
CNR2 P34972 3/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL7068639 0.77 PSEN1 (0.41) CNR2
SCHEMBL6936636 0.73 TRPV1 (0.38) TRPV1CNR2
SCHEMBL6933332 0.70 TRPV1 (0.39) TRPV1HTR2CCNR2
SCHEMBL6560804 0.70 TRPV1 (0.48) TRPV1
SCHEMBL6558741 0.70 TRPV1 (0.33) TRPV1
SCHEMBL6559483 0.69 MAPT (0.39) TRPV1
SCHEMBL6558627 0.68 TRPV1 (0.33) TRPV1
SCHEMBL6559299 0.68 KCNE1 (0.43) TRPV1
SCHEMBL6558219 0.68 TRPV1 (0.39) TRPV1
SCHEMBL6560865 0.68 KCNE1 (0.43) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915087-B1 Sulfonamide substituted fused five-membered ring compounds, their use as medicaments as well as pharmaceutical compositions containing them AVENTIS PHARMA GMBH (DE) 2003-04-02 EP disclosed
US-6015822-A ANTIULCER, ANTIDIARRHEA, AND ANTIARRHYTHMIA AGENTS; CARDIOVASCULAR AND GASTROINTESTINAL DISORDERS HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2000-01-18 US disclosed
EP-0915087-A2 Sulfonamide substituted fused five-membered ring compounds, their use as medicaments as well as pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-05-12 EP disclosed