Bromide

Bromide

SCHEMBL7100454

Br.Br.O=S(=O)(CCCCCCN1CCN(Cc2ccccc2-c2cccc(Cl)c2)CC1)NC1CC1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR1A known ✓ P08908 5/20 0.47
▸ CHRM3 known ✓ P20309 2/20 0.41
▸ HTR7 P34969 7/20 0.47
▸ DRD2 P14416 2/20 0.43
▸ HTR6 P50406 2/20 0.43
▸ CHRM1 P11229 2/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ HTR2A P28223 1/20 0.40

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
SCHEMBL7100414 0.99 HTR7 (0.47) HTR7HTR1ADRD2HTR6CHRM1
Hydrochloric Acid SCHEMBL7101891 0.98 HTR7 (0.47) HTR7HTR1ADRD2HTR6CHRM1
Hydrochloric Acid SCHEMBL7101517 0.98 HTR7 (0.47) HTR7HTR1ADRD2HTR6CHRM1
Oxalic Acid SCHEMBL7097833 0.95 HTR7 (0.46) HTR7HTR1ADRD2HTR6CHRM1
Fumaric Acid SCHEMBL7957765 0.92 HTR7 (0.44) HTR7HTR1ADRD2HTR6CHRM1
SCHEMBL7097626 0.89 BCL2 (0.48) HTR7
SCHEMBL7097662 0.89 BCL2 (0.48) HTR7
SCHEMBL7103677 0.89 BCL2 (0.48) HTR7
SCHEMBL7099289 0.89 BCL2 (0.48) HTR7
Hydrochloric Acid SCHEMBL7097386 0.88 BCL2 (0.47) HTR7

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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