SCHEMBL9511087

SCHEMBL9511087

CCC(NS(=O)(=O)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
DRD1 P21728 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HRH1 P35367 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
OPRD1 P41143 1/20 0.46
ALDH1A1 P00352 5/20 0.46

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
SCHEMBL9512288 0.89 KMT2A (0.49) CYP2D6CHRM2CHRM4CHRM5ADRA2A
SCHEMBL9511108 0.87 KMT2A (0.48) CYP2D6CHRM2CHRM4CHRM5ADRA2A
SCHEMBL27747982 0.76 ALDH1A1 (0.44) CYP2D6KCNH2ALDH1A1LMNACYP3A4
SCHEMBL9511082 0.72 HTR7 (0.67) HTR2ADRD3ALDH1A1LMNAHTT
SCHEMBL7977689 0.71 OPRM1 (0.78) CYP2D6CHRM2CHRM4CHRM5ADRA2A
SCHEMBL3919536 0.71 OPRM1 (0.78) CYP2D6CHRM2CHRM4CHRM5ADRA2A
SCHEMBL8186671 0.71 OPRM1 (0.78) CYP2D6CHRM2CHRM4CHRM5ADRA2A
SCHEMBL8175607 0.71 OPRM1 (0.78) CYP2D6CHRM2CHRM4CHRM5ADRA2A
SCHEMBL26192614 0.71 OPRM1 (0.61) CYP2D6CHRM2CHRM4CHRM5ADRA2A
SCHEMBL9512269 0.70 HTR7 (0.60) HTR2ADRD3ALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330065-B1 Sulfonamide compounds KOWA CO (JP) 1993-11-10 EP claimed
US-4948892-A Sulfonamid compound useful for treating cardiovascular disorders KOWA COMP., LTD. (JP) 1990-08-14 US claimed
EP-0330065-A1 Sulfonamide compounds KOWA COMPANY, LTD. (JP) 1989-08-30 EP claimed
JP-1211567-A None JP disclosed
EP-0330065-B1 Sulfonamide compounds KOWA CO (JP) 1993-11-10 EP disclosed
US-4948892-A Sulfonamid compound useful for treating cardiovascular disorders KOWA COMP., LTD. (JP) 1990-08-14 US disclosed
JP-H01211567-A NOVEL SULFONAMIDE COMPOUND KOWA CO 1989-08-24 JP disclosed