Bromide

Bromide

SCHEMBL8366387

Br.COc1cc(N)c(Cl)cc1-c1nn(C2CCNCC2)c(=O)o1

nearest known ligand 0.43

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 10)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 2/20 0.38
HTR3A known ✓ P46098 1/20 0.37
HTR4 Q13639 7/20 0.43
EIF2AK3 Q9NZJ5 2/20 0.35
FGFR1 P11362 2/20 0.35
NPC1 O15118 1/20 0.35
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
SUV39H2 Q9H5I1 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL8304880 0.99 HTR4 (0.44) HTR4ACHEHTR3AEIF2AK3FGFR1
SCHEMBL8305104 0.87 HTR4 (0.44) HTR4
Bromide SCHEMBL7937589 0.86 HTR4 (0.45) HTR4NPC1
Hydrochloric Acid SCHEMBL8368070 0.86 HTR4 (0.43) HTR4
SCHEMBL7808395 0.85 HTR4 (0.45) HTR4NPC1
SCHEMBL7804908 0.84 HTR4 (0.48) HTR4NPC1
SCHEMBL8308838 0.82 DRD4 (0.38) HTR4SUV39H2
SCHEMBL8309549 0.80 ACHE (0.51) HTR4ACHE
Bromide SCHEMBL7744559 0.80 HTR4 (0.36) HTR4ACHE
SCHEMBL7750256 0.79 SUV39H2 (0.35) HTR4HTR3ASUV39H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929089-A ANTISEROTONINE AGENT SYNTHELABO (FR) 1999-07-27 US disclosed