Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28617768

CCc1cccc(CC)c1-n1cc[n+](-c2c(CC)cccc2CC)c1I.[Cl-]

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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 8)

geneUniProtsupporting neighboursconfidence
▸ NPEPPS P55786 1/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ CRHBP P24387 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ MGLL Q99685 1/20 0.30
▸ ANPEP P15144 2/20 0.30
▸ DPP4 P27487 2/20 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.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL28606874 0.97 NPEPPS (0.32) NPEPPSGABRA1GABRB2CRHBPCRHR2
SCHEMBL28619282 0.93 NPEPPS (0.30) NPEPPS
Hydrochloric Acid SCHEMBL28622848 0.73 — —
Bromide SCHEMBL28619298 0.70 — —
Hydrochloric Acid SCHEMBL28605952 0.70 DPP4 (0.32) GABRA1GABRB2ANPEPDPP4
Hydrochloric Acid SCHEMBL29672576 0.67 GABRA1 (0.34) NPEPPSGABRA1GABRB2CRHBPCRHR2
Bromide SCHEMBL28619434 0.67 DPP4 (0.32) GABRA1GABRB2ANPEPDPP4
SCHEMBL28618056 0.67 — —
Hydrochloric Acid SCHEMBL28606132 0.64 — —
Hydrochloric Acid SCHEMBL2523586 0.61 GABRA1 (0.35) GABRA1GABRB2

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
CN-113045533-A Synthetic method of cyclic carbonate 南京工业大学 2021-06-29 — — CN disclosed
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