Bromide

Bromide

SCHEMBL5029240

Br.CCN1CCCC1CNc1nc(NCC2CCCCC2)nc(Nc2ccc(OC)c(F)c2)n1

nearest known ligand 0.58

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
GALR1 P47211 4/20 0.58
DRD2 P14416 6/20 0.45
GALR2 O43603 3/20 0.43
MAP3K8 P41279 2/20 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
SCHEMBL4832720 0.99 GALR1 (0.59) GALR1DRD2GALR2
SCHEMBL4829406 0.99 GALR1 (0.59) GALR1DRD2GALR2
SCHEMBL4832076 0.99 GALR1 (0.59) GALR1DRD2GALR2
SCHEMBL5036362 0.99 GALR1 (0.59) GALR1DRD2GALR2
Hydrochloric Acid SCHEMBL5029234 0.98 GALR1 (0.58) GALR1DRD2GALR2
SCHEMBL5029158 0.98 GALR1 (0.57) GALR1DRD2GALR2
SCHEMBL5031252 0.97 GALR1 (0.59) GALR1DRD2GALR2
SCHEMBL5031357 0.95 GALR1 (0.54) GALR1DRD2GALR2
SCHEMBL4829744 0.94 DRD2 (0.50) GALR1DRD2GALR2
SCHEMBL4832495 0.94 DRD2 (0.50) GALR1DRD2GALR2

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-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed