Bromide

SCHEMBL10592126

Br.C=CC[N+]1(C2C[C@H]3[C@@H]4CCC5CC(OC(=O)CC)C(N6CCOCC6)C[C@]5(C)[C@@H]4CC[C@]3(C)C2OC(=O)CC)CCCCCC1

nearest known ligand 0.73

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 14)

	gene	UniProt	supporting neighbours	confidence
▸	KCNH2	Q12809	3/20	0.73

▸	AGTR1	P30556	1/20	0.73

▸	HRH3	Q9Y5N1	1/20	0.57

▸	SLC22A2	O15244	1/20	0.56

▸	SLC47A2	Q86VL8	1/20	0.56

▸	SLC47A1	Q96FL8	1/20	0.56

▸	MEN1	O00255	1/20	0.47

▸	CYP2C9	P11712	1/20	0.47

▸	KMT2A	Q03164	1/20	0.47

▸	MTOR	P42345	1/20	0.47

▸	CYP2C19	P33261	1/20	0.47

▸	CYP3A4	P08684	1/20	0.47

▸	LMNA	P02545	1/20	0.47

▸	RAD52	P43351	1/20	0.47

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 SCHEMBL9642153	0.99	KCNH2 (0.73)	KCNH2AGTR1HRH3SLC22A2SLC47A2
Bromide SCHEMBL10592121	0.99	KCNH2 (0.73)	KCNH2AGTR1HRH3SLC22A2SLC47A2
Bromide SCHEMBL9642156	0.99	KCNH2 (0.73)	KCNH2AGTR1HRH3SLC22A2SLC47A2
Bromide SCHEMBL10592114	0.99	KCNH2 (0.73)	KCNH2AGTR1HRH3SLC22A2SLC47A2
Bromide SCHEMBL9642149	0.99	KCNH2 (0.73)	KCNH2AGTR1HRH3SLC22A2SLC47A2
Bromide SCHEMBL9643525	0.95	KCNH2 (0.77)	KCNH2AGTR1HRH3SLC22A2SLC47A2
Bromide SCHEMBL9643520	0.95	KCNH2 (0.77)	KCNH2AGTR1HRH3SLC22A2SLC47A2
Bromide SCHEMBL9643530	0.95	KCNH2 (0.77)	KCNH2AGTR1HRH3SLC22A2SLC47A2
Bromide SCHEMBL10700202	0.93	SLC22A2 (0.65)	KCNH2AGTR1HRH3SLC22A2SLC47A2
Bromide SCHEMBL10700198	0.93	SLC22A2 (0.65)	KCNH2AGTR1HRH3SLC22A2SLC47A2

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
EP-0330253-A1	Novel 16-homo-piperidino-androstane derivatives and processes for their preparation	AKZO N.V. (NL)	1989-08-30	—	—	EP	disclosed