Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9714623

N#CCCCCOc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]

nearest known ligand 0.45

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 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.45
SNCA P37840 2/20 0.43
KCNA3 P22001 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
LTB4R Q15722 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
SLC2A1 P11166 1/20 0.38

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
Hydrochloric Acid SCHEMBL9714497 0.96 SNCA (0.44) CHRNA7SNCAKCNA3
Hydrochloric Acid SCHEMBL3091790 0.88 KCNA3 (0.55) CHRNA7SNCAKCNA3L3MBTL1HDAC3
Bromide SCHEMBL9336662 0.85 KCNA3 (0.55) CHRNA7SNCAKCNA3L3MBTL1HDAC3
Hydrochloric Acid SCHEMBL3102838 0.82 FFAR1 (0.56) CHRNA7
Hydrochloric Acid SCHEMBL1046793 0.82 LTA4H (0.54) CHRNA7SNCA
Hydrochloric Acid SCHEMBL9714808 0.81 GUSB (0.39)
Hydrochloric Acid SCHEMBL9714606 0.80 SNCA (0.49) SNCAL3MBTL1
Hydrochloric Acid SCHEMBL9714793 0.80 CHRNA7 (0.40) CHRNA7SNCASLC2A1
SCHEMBL11799195 0.79 KCNA3 (0.67) KCNA3LTB4RHDAC3HDAC4HDAC1
Iodide SCHEMBL1047429 0.79 LTA4H (0.54) CHRNA7SNCA

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166210-A QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1992-11-24 US disclosed
US-5028615-A Treatment of hypersensitivity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-07-02 US disclosed