Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6453426

Cc1ccc2c(c1)C=CC2[Zr+2]1(C2C=Cc3cc(C)ccc32)CCC1.[Cl-].[Cl-]

nearest known ligand 0.30

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 2)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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 SCHEMBL2778338 0.93 ACHE (0.34) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6456826 0.87 CHRNB2 (0.30) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL2778237 0.80 ACHE (0.34) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL649472 0.76 HTR6 (0.33)
Hydrochloric Acid SCHEMBL647120 0.76 HTR6 (0.33)
Hydrochloric Acid SCHEMBL6918894 0.73 HTR1A (0.32)
Hydrochloric Acid SCHEMBL6362711 0.73 BRD4 (0.40)
Hydrochloric Acid SCHEMBL648598 0.73 HTR6 (0.33)
Hydrochloric Acid SCHEMBL648389 0.73 HTR6 (0.33)
SCHEMBL4366176 0.70 KDM4E (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049704-B1 BRIDGED METALLOCENES, PREPARATION, USE IN CATALYTIC SYSTEMS BASELL POLYOLEFINE GMBH (DE) 2005-07-27 EP disclosed
US-6433203-B1 COORDINATION POLYMERIZATION CATALYST; ALPHA-OLEFIN POLYMER BASELL TECHNOLOGY COMPANY BV (NL) 2002-08-13 US disclosed
EP-1049704-A1 BRIDGED METALLOCENES, PREPARATION, USE IN CATALYTIC SYSTEMS Montell Technology Company bv (NL) 2000-11-08 EP disclosed
WO-2000031088-A1 BRIDGED METALLOCENES, PREPARATION, USE IN CATALYTIC SYSTEMS MONTELL TECHNOLOGY COMPANY BV (NL) 2000-06-02 WO disclosed