Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7196330

CC1C(SC2=Cc3ccccc3C2C)=Cc2ccccc21.CC1C(SC2=Cc3ccccc3C2C)=Cc2ccccc21.[Cl-].[Cl-].[Zr+2]

nearest known ligand 0.38

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 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.38
DRD4 P21917 5/20 0.38
BRD4 O60885 1/20 0.37
CCL2 P13500 1/20 0.37
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL7199653 0.96 DRD2 (0.40) DRD2DRD4BRD4CCL2CYP19A1
Hydrochloric Acid SCHEMBL7195319 0.75 LMNA (0.33)
Hydrochloric Acid SCHEMBL7183660 0.73 DRD2 (0.44) DRD2DRD4BRD4CCL2CYP19A1
Hydrochloric Acid SCHEMBL32685441 0.73 DRD2 (0.44) DRD2DRD4BRD4CCL2CYP19A1
Hydrochloric Acid SCHEMBL8665926 0.72 DRD2 (0.39) DRD2DRD4BRD4CCL2CYP19A1
Hydrochloric Acid SCHEMBL6129924 0.72 DRD2 (0.39) DRD2DRD4BRD4CCL2CYP19A1
Hydrochloric Acid SCHEMBL812517 0.72 DRD2 (0.39) DRD2DRD4BRD4CCL2CYP19A1
Hydrochloric Acid SCHEMBL27933029 0.72 DRD2 (0.39) DRD2DRD4BRD4CCL2CYP19A1
Hydrochloric Acid SCHEMBL27948813 0.72 DRD2 (0.39) DRD2DRD4BRD4CCL2CYP19A1
Hydrochloric Acid SCHEMBL7197803 0.72 CYP3A4 (0.40) DRD2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668865-B1 INDENYL COMPOUNDS AND CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS DSM NV (NL) 2003-07-23 EP disclosed
US-5990253-A METALLOCENES HAVING THE INDENE RING BINDING AT THE 2-POSITION RATHER THAN AT THE 1-POSITION; COORDINATION CATALYSTS; LESS CRYSTALLIZATION IN THE ADDITION POLYMERIZATION OF ELASTOMERS DSM N.V. (NL) 1999-11-23 US disclosed
US-5646322-A Indenyl compounds and catalyst components for the polymerization of olefins DSM N.V. (NL) 1997-07-08 US disclosed
EP-0668865-A1 INDENYL COMPOUNDS AND CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS DSM N.V. (NL) 1995-08-30 EP disclosed
WO-1994011406-A1 INDENYL COMPOUNDS AND CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS DSM N.V. (NL) 1994-05-26 WO disclosed