SCHEMBL7098300

SCHEMBL7098300

O=S(=O)(CCCCCCN1CCN(C(c2ccccc2)c2cccc(Cl)c2)CC1)NC1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 11/20 0.49
▸ DRD3 P35462 11/20 0.49
▸ CACNA2D1 P54289 3/20 0.48
▸ CACNA1B Q00975 3/20 0.48
▸ CACNB1 Q02641 3/20 0.48
▸ CACNA1C Q13936 3/20 0.48
▸ CACNA1G O43497 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HTR7 P34969 2/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44

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
Hydrochloric Acid SCHEMBL7098258 0.99 DRD2 (0.49) DRD2DRD3CACNA2D1CACNA1BCACNB1
Bromide SCHEMBL7100449 0.99 DRD2 (0.49) DRD2DRD3CACNA2D1CACNA1BCACNB1
Hydrochloric Acid SCHEMBL7101513 0.99 DRD2 (0.49) DRD2DRD3CACNA2D1CACNA1BCACNB1
SCHEMBL7098340 0.97 DRD2 (0.45) DRD2DRD3CACNA2D1CACNA1BCACNB1
Oxalic Acid SCHEMBL7097823 0.96 DRD3 (0.51) DRD2DRD3CACNA2D1CACNA1BCACNB1
Fumaric Acid SCHEMBL7957768 0.94 DRD3 (0.49) DRD2DRD3CACNA2D1CACNA1BCACNB1
Fumaric Acid SCHEMBL7957738 0.94 DRD3 (0.49) DRD2DRD3CACNA2D1CACNA1BCACNB1
SCHEMBL7097625 0.91 DRD3 (0.57) DRD2DRD3HTR7HTR1AABCB11
SCHEMBL7099285 0.91 DRD3 (0.57) DRD2DRD3HTR7HTR1AABCB11
SCHEMBL7103672 0.91 DRD3 (0.57) DRD2DRD3HTR7HTR1AABCB11

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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