SCHEMBL7098292

SCHEMBL7098292

O=S(=O)(CCCCCCN1CCN(C(c2ccc(F)cc2)c2ccccn2)CC1)NC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 9/20 0.42
▸ DRD3 P35462 6/20 0.42
▸ HTR7 P34969 4/20 0.42
▸ HTR2A P28223 3/20 0.42
▸ DRD4 P21917 2/20 0.42
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ IDH1 O75874 1/20 0.41
▸ ACHE P22303 2/20 0.40
▸ SIGMAR1 Q99720 2/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ HTR6 P50406 1/20 0.38
▸ OPRD1 P41143 1/20 0.38

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
SCHEMBL7103905 0.88 DRD2 (0.45) DRD2DRD3HTR2AIDH1
SCHEMBL7098294 0.87 DRD2 (0.42) DRD2DRD3DRD4ADRA1B
SCHEMBL7100671 0.84 ACHE (0.51) DRD2DRD3HTR7HTR2ADRD4
SCHEMBL7773713 0.82 DRD2 (0.52) DRD2DRD3HTR7HTR2ADRD4
Hydrochloric Acid SCHEMBL7775564 0.82 IDH1 (0.45) DRD2DRD3HTR7HTR2ADRD4
SCHEMBL7775646 0.81 OPRD1 (0.46) DRD2DRD3HTR7HTR2ADRD4
SCHEMBL7103907 0.78 DRD2 (0.42) DRD2DRD3
SCHEMBL7099285 0.75 DRD3 (0.57) DRD2DRD3HTR7HTR2ADRD4
SCHEMBL7097660 0.75 DRD3 (0.57) DRD2DRD3HTR7HTR2ADRD4
SCHEMBL7103672 0.75 DRD3 (0.57) DRD2DRD3HTR7HTR2ADRD4

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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