Bromide

Bromide

SCHEMBL5635622

CCCC1=NC(CCC)CO1.[Br-].[Br-].[Pd+2]

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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
NOS2 P35228 8/20 0.40
NOS3 P29474 7/20 0.40
NOS1 P29475 6/20 0.40
TAAR1 Q96RJ0 2/20 0.33

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 SCHEMBL5618896 0.96 NOS2 (0.40) NOS2NOS3NOS1TAAR1
SCHEMBL5635629 0.89 NOS2 (0.38) NOS2NOS3NOS1TAAR1
SCHEMBL7091189 0.76 NOS2 (0.41) NOS2NOS3NOS1TAAR1
SCHEMBL10616856 0.75 NOS2 (0.44) NOS2NOS3NOS1TAAR1
SCHEMBL7846606 0.75 ALDH1A1 (0.41) NOS2NOS3NOS1TAAR1
SCHEMBL26106627 0.75 NOS2 (0.38) NOS2NOS3NOS1
SCHEMBL7854852 0.75 ALDH1A1 (0.41) NOS2NOS3NOS1TAAR1
SCHEMBL7651855 0.75 ALDH1A1 (0.41) NOS2NOS3NOS1TAAR1
SCHEMBL7857240 0.75 ALDH1A1 (0.41) NOS2NOS3NOS1TAAR1
SCHEMBL6573977 0.74 ATM (0.34) NOS2NOS3NOS1TAAR1

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-2007023618-A1 HOMOPOLYMER AND COPOLYMER, AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-01 WO disclosed