Bromide

SCHEMBL3563677

Br.CCCc1nc(C)n(-c2cc(F)c3c(c2)CC(C)(C)O3)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1.CCCc1nc(C)n(-c2cc(F)c3c(c2)CC(C)(C)O3)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1.Cl

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHE ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB1 ADRB2 ADRB3 APH1A APH1B CHRM2 CHRM3 EZH2 GRIN2A HTR1A HTR1B HTR1D HTR1F HTR3A NCSTN P2RY12 PSEN1 PSEN2 PSENEN SIGMAR1 SLC6A2 SLC6A3 SLC6A4

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 3)

	gene	UniProt	supporting neighbours	confidence
▸	SLC33A1	O00400	18/20	0.47

▸	AGTR1	P30556	1/20	0.45

▸	PPARG	P37231	1/20	0.43

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.

Compound	similarity	top predicted	shared targets
Bromide SCHEMBL1890050	0.99	SLC33A1 (0.47)	SLC33A1AGTR1PPARG
Hydrochloric Acid SCHEMBL1886155	0.99	SLC33A1 (0.47)	SLC33A1AGTR1PPARG
SCHEMBL1892550	0.99	SLC33A1 (0.48)	SLC33A1AGTR1PPARG
SCHEMBL1886476	0.98	SLC33A1 (0.47)	SLC33A1AGTR1PPARG
SCHEMBL1898036	0.98	SLC33A1 (0.47)	SLC33A1AGTR1PPARG
Bromide SCHEMBL1887526	0.89	AGTR1 (0.53)	SLC33A1AGTR1
Hydrochloric Acid SCHEMBL1895447	0.89	AGTR1 (0.53)	SLC33A1AGTR1
SCHEMBL1891399	0.88	AGTR1 (0.53)	SLC33A1AGTR1
SCHEMBL14095786	0.87	SLC33A1 (0.49)	SLC33A1PPARG
SCHEMBL1888873	0.87	AGTR1 (0.53)	SLC33A1AGTR1

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-7803940-B2	Heteromonocyclic compound or a salt thereof having strong antihypertensive action, insulin sensitizing activity and the like production thereof and use thereof for prophylaxis or treatment of cardiovascular diseases, metabolic diseases and/or central nervous system diseases	TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP)	2010-09-28	—	—	US	disclosed