SCHEMBL8083318

SCHEMBL8083318

CCC(C(=O)NCC(C)C)N1CCC(N(C(C)C)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 12/20 0.46
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
UBE2M P61081 4/20 0.43
DCUN1D1 Q96GG9 4/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NR1I2 O75469 2/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
CACNA1C Q13936 1/20 0.41

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
SCHEMBL13002410 0.92 CACNA1B (0.53) CACNA1BNR1I2
SCHEMBL3485872 0.84 CACNA1B (0.47) CACNA1BGAAHPGDUBE2MDCUN1D1
SCHEMBL3485983 0.82 UBE2M (0.48) CACNA1BGAAHPGDUBE2MDCUN1D1
SCHEMBL3765384 0.80 HPGD (0.48) CACNA1BGAAHPGDUBE2MDCUN1D1
SCHEMBL3764979 0.78 CACNA1B (0.47) CACNA1BGAAHPGDUBE2MDCUN1D1
SCHEMBL3485722 0.78 CACNA1B (0.50) CACNA1BGAAHPGDLMNASMN1; SMN2
SCHEMBL13002406 0.77 CACNA1B (0.51) CACNA1BGAAHPGDUBE2MDCUN1D1
SCHEMBL13291497 0.77 CACNA1B (0.49) CACNA1BGAAHPGDLMNASMN1; SMN2
SCHEMBL3485159 0.76 CACNA1B (0.50) CACNA1BGAAHPGDNR1I2CACNA1C
SCHEMBL8236293 0.76 CACNA1B (0.51) CACNA1BGAAHPGDNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009040659-A2 BENZENESULFONAMIDE COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. (DE) 2009-04-02 WO disclosed