Bromide

Bromide

SCHEMBL8820697

Br.CN1CCC(c2csc3cc(F)ccc23)CC1.COc1cc2c(C3CCNCC3)csc2cc1F

nearest known ligand 0.38

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 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 7/20 0.38
SLC6A2 known ✓ P23975 6/20 0.38
SLC6A3 known ✓ Q01959 6/20 0.38
HTR1A known ✓ P08908 5/20 0.38
HTR2C P28335 2/20 0.38
CCNT1 O60563 7/20 0.38
CDK9 P50750 7/20 0.38
CASP3 P42574 2/20 0.38
CASP7 P55210 2/20 0.38
AVPR2 P30518 1/20 0.36
AVPR1A P37288 1/20 0.36
AVPR1B P47901 1/20 0.36
APP P05067 1/20 0.36
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
CDK7 P50613 1/20 0.35
FYN P06241 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL7866276 0.85 HTR2C (0.44) SLC6A4SLC6A2SLC6A3HTR1AHTR2C
Bromide SCHEMBL7864959 0.82 DRD2 (0.47) SLC6A4HTR1AAVPR2AVPR1AAVPR1B
SCHEMBL7468044 0.79 SLC6A2 (0.44) SLC6A4SLC6A2SLC6A3HTR1AAPP
Bromide SCHEMBL8818387 0.78 APP (0.54) SLC6A4HTR1AAPPDRD2
Hydrochloric Acid SCHEMBL1673605 0.78 SLC6A2 (0.43) SLC6A4SLC6A2SLC6A3HTR1AHTR2C
Bromide SCHEMBL7870846 0.76 MAPT (0.47) SLC6A4DRD2
SCHEMBL14573110 0.74 SLC6A2 (0.40) SLC6A4SLC6A2SLC6A3HTR1AHTR2C
SCHEMBL7867551 0.74 DRD2 (0.44) SLC6A4APPDRD2
SCHEMBL694609 0.70 AVPR2 (0.40) SLC6A4AVPR2AVPR1AAVPR1BDRD2
Bromide SCHEMBL8820626 0.69 CDK9 (0.45) CCNT1CDK9CASP3CASP7CDK1

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
WO-1997047302-A1 INHIBITION OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1997-12-18 WO disclosed