Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7936598

CCC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Hf](C1C(CC)=Cc2c(-c3cccc4ccccc34)cccc21)=[Si](C)C.CCC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Hf](C1C(CC)=Cc2c(-c3cccc4ccccc34)cccc21)=[Si](C)C.[Cl-].[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 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.31
SLC6A3 known ✓ Q01959 1/20 0.31
HTR7 P34969 3/20 0.32
SLC6A4 P31645 5/20 0.32
DRD2 P14416 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HTR1A P08908 2/20 0.30
NISCH Q9Y2I1 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM1A O60341 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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7217378 0.84
Hydrochloric Acid SCHEMBL4482811 0.84 HTR1A (0.32) HTR7SLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL5189192 0.82 HTR7 (0.33) HTR7SLC6A4DRD2SLC6A2SLC6A3
SCHEMBL20815319 0.81 HTR7 (0.33) HTR7SLC6A4DRD2KDM4EHTR1A
Hydrochloric Acid SCHEMBL7935510 0.81 NPC1 (0.32) HTR7HTR1ANISCHMAPTKDM1A
SCHEMBL4622630 0.79 SLC6A4 (0.34) HTR7SLC6A4DRD2SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL4065888 0.78 HTR7 (0.35) HTR7SLC6A4DRD2SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL6903687 0.78 SLC6A4 (0.32) HTR7SLC6A4DRD2SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL5691375 0.78 SLC6A4 (0.32) HTR7SLC6A4SLC6A2SLC6A3KDM4E
Hydrochloric Acid SCHEMBL31126400 0.78 SLC6A4 (0.32) HTR7SLC6A4DRD2SLC6A2SLC6A3

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-6184402-B1 RESOLUTION OF A STEREOISOMERIC MIXTURE OF SPECIFIC METALLOCENE COMPLEXES BRIDGED WITH A TRANSITION METAL HAVING AN OXYGEN BOND ATTACHED, I.E., A MU-OXO COMPLEX; HYDROLYSIS IN THE PRESENCE OF A BASE; SEPARATION OF MESO FORM FROM MIXES CHISSO CORPORATION (JP) 2001-02-06 US disclosed