SCHEMBL6936636

SCHEMBL6936636

CCS(=O)(=O)NC1CC(C)(C)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.38
HTR2A P28223 4/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
NR3C2 P08235 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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 0.85 PSEN1 (0.41) CNR2ALDH1A1PSEN1PSEN2APH1B
SCHEMBL6933332 0.84 TRPV1 (0.39) TRPV1CNR2ALDH1A1SMN1; SMN2CA1
SCHEMBL6559509 0.77 TRPV1 (0.45) TRPV1HTR2ADRD2DRD3KMT2A
SCHEMBL31231454 0.75 TRPV1 (0.47) TRPV1CNR2MEN1KMT2AALDH1A1
SCHEMBL6935443 0.73 TRPV1 (0.33) TRPV1CNR2
SCHEMBL6937422 0.69 CA1 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2CA1
SCHEMBL2464696 0.69 CA1 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2CA1
SCHEMBL6932458 0.69 CA1 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2CA1
SCHEMBL6932849 0.69 KCNE1 (0.45) CNR2MEN1KMT2A
SCHEMBL11524465 0.68 HTR2A (0.39) HTR2AMEN1KMT2A

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