Bromide

Bromide

SCHEMBL9521059

Br.Cc1cc(O)c(O)c2c1C(CN(C)CCc1cccc(F)c1)CCC2

nearest known ligand 0.59

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 4)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 2/20 0.59
SLC6A4 known ✓ P31645 2/20 0.59
SIGMAR1 known ✓ Q99720 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41

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 SCHEMBL9523450 0.85 HTR1A (0.70) HTR1ASLC6A4
Hydrochloric Acid SCHEMBL9520889 0.80 HTR1A (0.69) HTR1ASLC6A4
Hydrochloric Acid SCHEMBL9521293 0.76 HTR1A (0.63) HTR1ASLC6A4SIGMAR1TAAR1
Hydrochloric Acid SCHEMBL9521599 0.74 HTR1A (0.69) HTR1ASLC6A4SIGMAR1TAAR1
Hydrochloric Acid SCHEMBL9520941 0.72 SLC6A4 (0.80) HTR1ASLC6A4
Bromide SCHEMBL9464934 0.71 SLC6A4 (0.50) HTR1ASLC6A4SIGMAR1TAAR1
SCHEMBL9715572 0.71 HTR1A (0.88) HTR1ASLC6A4
Hydrochloric Acid SCHEMBL9523522 0.70 HTR1A (0.69) HTR1ASLC6A4
Bromide SCHEMBL9522890 0.67 ESR1 (0.54) HTR1ASLC6A4
Bromide SCHEMBL9519869 0.67 HTR1A (0.49) HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325963-B1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES AND -INDANES ABBOTT LABORATORIES (US) 1993-09-22 EP disclosed
US-5128362-A Antidepressant, antiglaucoma ABBOTT LABORATORIES (US) 1992-07-07 US disclosed
US-5086074-A Selective adrenergic receptor antagonists ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
EP-0325963-A1 1-Aminomethyl-1,2,3,4-tetrahydronaphthalenes and -indanes ABBOTT LABORATORIES (US) 1989-08-02 EP disclosed