Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5354633

COCC[N+]1(C)CCN(c2ccc(N)cc2)CC1.[Cl-]

nearest known ligand 0.44

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 20)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.39
CHRM1 known ✓ P11229 1/20 0.39
CHRM3 known ✓ P20309 1/20 0.39
ACHE known ✓ P22303 1/20 0.38
MAPT P10636 6/20 0.44
KDM4E B2RXH2 4/20 0.44
GFER P55789 4/20 0.44
GAA P10253 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAD52 P43351 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
ADRA2C P18825 1/20 0.44
PTK2B Q14289 1/20 0.44
ESR2 Q92731 1/20 0.44
HSD17B10 Q99714 3/20 0.41
ALOX15 P16050 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL6748728 0.98 MAPT (0.45) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5365780 0.82 GAA (0.50) MAPTKDM4EGAARAD52ALDH1A1
Hydrochloric Acid SCHEMBL5349721 0.82 MAPT (0.46) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL6744026 0.81 GAA (0.51) MAPTKDM4EGAARAD52ALDH1A1
Hydrochloric Acid SCHEMBL5358867 0.81 MAPT (0.46) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL5351218 0.80 MAPT (0.47) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5350248 0.80 CHRNA10 (0.55) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL6744524 0.78 CHRNA10 (0.56) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5345764 0.77 MAPT (0.46) MAPTKDM4EGFERGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5345638 0.76 MAPT (0.45) MAPTKDM4EGFERGAASMN1; SMN2

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
US-7186277-B2 Composition for dyeing keratin fibres, comprising a cationic para-phenylenediamine derivative substituted with a diazacyclohexane or diazacycloheptane ring L'OREAL SA (FR) 2007-03-06 US disclosed