Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16446580

COC(=O)c1ccc(C(CC[N+]2(CCCc3ccc(OC)cc3)CCCCC2)NC(=O)c2nc(Cl)c(N)nc2N)cc1.[Cl-]

nearest known ligand 0.55

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
▸ SCNN1A P37088 7/20 0.49
▸ CTSA P10619 1/20 0.40

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 SCHEMBL16443350 0.80 SCNN1A (0.49) SCNN1A
SCHEMBL16453222 0.79 SCNN1A (0.50) SCNN1A
Hydrochloric Acid SCHEMBL16446844 0.76 UTS2R (0.42) SCNN1ACTSA
Hydrochloric Acid SCHEMBL20677585 0.76 SCNN1A (0.52) SCNN1A
Hydrochloric Acid SCHEMBL16443569 0.76 SCNN1A (0.53) SCNN1A
Hydrochloric Acid SCHEMBL20677597 0.75 SCNN1A (0.53) SCNN1A
Hydrochloric Acid SCHEMBL20677507 0.75 SCNN1A (0.53) SCNN1A
Hydrochloric Acid SCHEMBL16443823 0.75 SCNN1A (0.53) SCNN1A
SCHEMBL16453255 0.75 SCNN1A (0.53) SCNN1A
SCHEMBL16453221 0.75 SCNN1A (0.53) SCNN1A

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
EP-3030555-A1 NOVEL PYRAZINE AMIDE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2016-06-15 — — EP disclosed
WO-2015018754-A1 NOVEL PYRAZINE AMIDE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-12 — — WO disclosed
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