SCHEMBL2464696

SCHEMBL2464696

CCS(=O)(=O)NC1CCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
PDPK1 O15530 1/20 0.57
MAOA P21397 4/20 0.56
MAOB P27338 4/20 0.56
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
BCHE P06276 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
ACHE P22303 1/20 0.53
ADRA1A P35348 1/20 0.53
HTR6 P50406 1/20 0.53
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL6932458 1.00 CA1 (0.67) CA1CA2PDPK1MAOAMAOB
SCHEMBL6937422 1.00 CA1 (0.67) CA1CA2PDPK1MAOAMAOB
SCHEMBL16886879 0.83 CA1 (0.71) CA1CA2PDPK1MAOAMAOB
SCHEMBL18422395 0.83 CA1 (0.71) CA1CA2PDPK1MAOAMAOB
SCHEMBL30024474 0.83 CA1 (0.71) CA1CA2PDPK1MAOAMAOB
SCHEMBL18422806 0.83 CA1 (0.71) CA1CA2PDPK1MAOAMAOB
SCHEMBL8714843 0.83 CA1 (0.57) CA1CA2PDPK1MAOAMAOB
SCHEMBL5969953 0.82 CA1 (0.60) CA1CA2PDPK1MAOAMAOB
SCHEMBL2463172 0.82 CA1 (0.60) CA1CA2PDPK1MAOAMAOB
SCHEMBL21690353 0.82 CA1 (0.56) CA1CA2PDPK1MAOAMAOB

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
JP-4782252-B2 2011-09-28 JP claimed
EP-0738149-A4 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 1999-10-27 EP claimed
EP-0738149-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-10-23 EP claimed
WO-1995018617-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-07-13 WO claimed
US-6015822-A ANTIULCER, ANTIDIARRHEA, AND ANTIARRHYTHMIA AGENTS; CARDIOVASCULAR AND GASTROINTESTINAL DISORDERS HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2000-01-18 US disclosed
CN-1219533-A Sulfonamide-substituted fused 5-membered ring compounds, their use as medicament, and pharmaceutical preparation comprising them HOECHST MARION ROUSSEL DE GMBH (DE) 1999-06-16 CN disclosed