Hydrochloric Acid

SCHEMBL5165803

CCCCCCCCCCCCOc1ccc(C2=C3N=C(C=C4C=CC(=N4)C=C4C=CC(=N4)C=C4C=C(c5ccc(OCCC[N+](C)(C)C)cc5)C2=N4)C(c2ccc(OCCC[N+](C)(C)C)cc2)=C3c2ccc(OCCC[N+](C)(C)C)cc2)cc1.[Cl-].[Cl-].[Cl-]

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

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 12)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	2/20	0.31

▸	CYP2D6	P10635	2/20	0.31

▸	CYP1A2	P05177	1/20	0.31

▸	CYP19A1	P11511	1/20	0.31

▸	CYP2C9	P11712	1/20	0.31

▸	CYP2C19	P33261	1/20	0.31

▸	RARB	P10826	3/20	0.30

▸	KDM4E	B2RXH2	2/20	0.30

▸	ALDH1A1	P00352	2/20	0.30

▸	HPGD	P15428	2/20	0.30

▸	HTT	P42858	1/20	0.30

▸	L3MBTL1	Q9Y468	1/20	0.30

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
SCHEMBL8031583	0.93	RARB (0.34)	CYP3A4CYP2D6CYP1A2CYP19A1CYP2C9
SCHEMBL2531378	0.93	RARB (0.34)	CYP3A4CYP2D6CYP1A2CYP19A1CYP2C9
Hydrochloric Acid SCHEMBL5014143	0.79	CYP3A4 (0.32)	CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL27620956	0.79	CHRNB4 (0.30)	CYP3A4CYP2D6
SCHEMBL28436255	0.78	RARB (0.40)	CYP3A4CYP2D6CYP1A2CYP19A1CYP2C9
SCHEMBL28493240	0.78	RARB (0.40)	CYP3A4CYP2D6CYP1A2CYP19A1CYP2C9
Bromide SCHEMBL5014150	0.77	—	—
SCHEMBL23036930	0.77	RARB (0.39)	CYP3A4CYP2D6CYP1A2CYP19A1CYP2C9
SCHEMBL28246175	0.77	RARB (0.39)	CYP3A4CYP2D6CYP1A2CYP19A1CYP2C9
SCHEMBL28587908	0.76	GSTP1 (0.34)	CYP1A2CYP2C19L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1768666-A1	NOVEL USES OF PORPHYRIN COMPOUNDS	Destiny Pharma Limited (GB)	2007-04-04	—	—	EP	disclosed
WO-2006000765-A1	NOVEL USES	DESTINY PHARMA LIMITED (GB)	2006-01-05	—	—	WO	disclosed