Hydrochloric Acid

SCHEMBL7178317

CC(=Nc1c(C(C)C)cc(C)cc1C(C)C)c1cccc(C(C)=Nc2c(C(C)C)cc(C)cc2C(C)C)n1.[Cl-].[Cl-].[Cl-].[Fe+3]

nearest known ligand 0.35

Known targets — ChEMBL curated mechanism

ACHE BDKRB2 CHRM1 CHRM2 CHRM3 CHRNA1 CHRNB1 CHRND CHRNE CHRNG GUCY1A1 GUCY1A2 GUCY1B1 GUCY1B2 NAMPT PTAFR SLC10A2 SLC6A2 SLC6A3 TACR1 dacA dacB dacC ftsI mrcA mrcB mrdA

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	SLC6A2 known ✓	P23975	2/20	0.31

▸	CHRM1 known ✓	P11229	1/20	0.31

▸	GABRA1	P14867	2/20	0.32

▸	GABRG2	P18507	2/20	0.32

▸	GABRB3	P28472	2/20	0.32

▸	HSP90AA1	P07900	1/20	0.31

▸	LMNA	P02545	3/20	0.31

▸	HTR2B	P41595	2/20	0.31

▸	TRPA1	O75762	1/20	0.31

▸	ADRA1A	P35348	1/20	0.31

▸	FAAH	O00519	1/20	0.31

▸	CA1	P00915	1/20	0.31

▸	CA2	P00918	1/20	0.31

▸	CYP1A2	P05177	1/20	0.31

▸	CYP3A4	P08684	1/20	0.31

▸	HPGD	P15428	1/20	0.31

▸	TSHR	P16473	1/20	0.31

▸	GABRB1	P18505	1/20	0.31

▸	PTGS1	P23219	1/20	0.31

▸	HTR2C	P28335	1/20	0.31

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
Hydrochloric Acid SCHEMBL7176822	0.97	GABRA1 (0.32)	GABRA1GABRG2GABRB3HSP90AA1LMNA
Hydrochloric Acid SCHEMBL7176931	0.97	GABRA1 (0.32)	GABRA1GABRG2GABRB3HSP90AA1LMNA
Hydrochloric Acid SCHEMBL7175518	0.97	GABRA1 (0.32)	GABRA1GABRG2GABRB3HSP90AA1LMNA
Hydrochloric Acid SCHEMBL7174370	0.97	GABRA1 (0.32)	GABRA1GABRG2GABRB3HSP90AA1LMNA
Hydrochloric Acid SCHEMBL7180672	0.97	GABRA1 (0.32)	GABRA1GABRG2GABRB3HSP90AA1LMNA
SCHEMBL6910795	0.97	GABRA1 (0.33)	GABRA1GABRG2GABRB3HSP90AA1LMNA
SCHEMBL5589024	0.97	GABRA1 (0.33)	GABRA1GABRG2GABRB3HSP90AA1LMNA
SCHEMBL5590045	0.95	GABRA1 (0.33)	GABRA1GABRG2GABRB3HSP90AA1LMNA
SCHEMBL16999963	0.90	GABRA1 (0.37)	GABRA1LMNAGABRB1MEN1KMT2A
Hydrochloric Acid SCHEMBL7179417	0.89	TRPA1 (0.30)	LMNASLC6A2HTR2BTRPA1CHRM1

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-1367069-A1	Process for homo-or copolymerization of conjugated diens	DOW GLOBAL TECHNOLOGIES INC. (US)	2003-12-03	—	—	EP	disclosed