Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7932333

CN1CCCNCCCNCCC(c2ccccc2)N([Ti+3])CCC1.[Cl-].[Cl-].[Cl-]

nearest known ligand 0.41

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 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM1A O60341 3/20 0.33
MAOB P27338 2/20 0.33
RIPK1 Q13546 1/20 0.33
MAOA P21397 1/20 0.32

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 SCHEMBL7936195 0.92 SLC18A3 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL8681588 0.84 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL7932342 0.84 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL7925641 0.84 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL7932331 0.84 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL7936268 0.84 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL7934477 0.74 CXCR4 (0.30)
Hydrochloric Acid SCHEMBL7938275 0.74 SLC18A3 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL7925653 0.73 TAAR1 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL7936216 0.73

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-6169152-B1 COPOLYMER OF ETHYLENE AND A POLAR GROUP-CONTAINING CYCLIC OLEFIN COMPRISING ESTER- OR ANHYDRIDE MODIFIED NORBORNENE OR PERHYDRO-2,3-DIDEHYDRO-1,4:5,8-DIMETHANONAPHTHALENE MADE WITH CATALYST SUCH AS 1,5,9-TRIAZACYCLODODECANYLTITANIUM CHLORIDE JSR CORPORATION (JP) 2001-01-02 US disclosed
EP-0816387-A1 Olefin-polymerizing catalyst JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-01-07 EP disclosed