SCHEMBL7098340

SCHEMBL7098340

O=S(=O)(CCCCCCN1CCN(C(c2cccc(Cl)c2)c2cccc(Cl)c2)CC1)NC1CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 9/20 0.45
▸ DRD3 P35462 8/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ CACNA2D1 P54289 3/20 0.43
▸ CACNA1B Q00975 3/20 0.43
▸ CACNB1 Q02641 3/20 0.43
▸ CACNA1C Q13936 3/20 0.43
▸ HTR1A P08908 3/20 0.43
▸ HTR7 P34969 3/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ CACNA1G O43497 1/20 0.41
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39

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
SCHEMBL7098300 0.97 DRD2 (0.49) DRD2DRD3KCNH2CACNA2D1CACNA1B
Bromide SCHEMBL7100449 0.96 DRD2 (0.49) DRD2DRD3KCNH2CACNA2D1CACNA1B
Hydrochloric Acid SCHEMBL7101513 0.96 DRD2 (0.49) DRD2DRD3CACNA2D1CACNA1BCACNB1
Hydrochloric Acid SCHEMBL7098258 0.96 DRD2 (0.49) DRD2DRD3CACNA2D1CACNA1BCACNB1
Oxalic Acid SCHEMBL7097823 0.94 DRD3 (0.51) DRD2DRD3KCNH2CACNA2D1CACNA1B
Fumaric Acid SCHEMBL7957738 0.91 DRD3 (0.49) DRD2DRD3KCNH2CACNA2D1CACNA1B
Fumaric Acid SCHEMBL7957768 0.91 DRD3 (0.49) DRD2DRD3KCNH2CACNA2D1CACNA1B
SCHEMBL7099285 0.88 DRD3 (0.57) DRD2DRD3KCNH2HTR1AHTR7
SCHEMBL7103672 0.88 DRD3 (0.57) DRD2DRD3KCNH2HTR1AHTR7
SCHEMBL7097625 0.88 DRD3 (0.57) DRD2DRD3KCNH2HTR1AHTR7

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-1020443-B1 PROCESS FOR PRODUCING PIPERAZINESULFONAMIDE DERIVATIVES AND SALTS THEREOF AZWELL INC (JP) 2003-09-10 — — EP disclosed
US-6172228-B1 Process for producing piperazinesulfonamide derivatives and salts thereof AZWELL INC. (JP) 2001-01-09 — — US disclosed
EP-1020443-A1 PROCESS FOR PRODUCING PIPERAZINESULFONAMIDE DERIVATIVES AND SALTS THEREOF Azwell Inc. (JP) 2000-07-19 — — EP disclosed
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