Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9165589

CCCCCCCCCCCCCCOc1ccc(CC(=O)Nc2cccc(-c3scc[n+]3C)c2)c(Cl)c1.[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 11)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.41
NR1H4 Q96RI1 5/20 0.41
MAPT P10636 1/20 0.41
EPHX2 P34913 1/20 0.40
THRB P10828 1/20 0.39
KCNJ5 P48544 2/20 0.37
KCNJ3 P48549 2/20 0.37
FAAH O00519 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
PTPN11 Q06124 1/20 0.36

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 SCHEMBL9159818 0.91 P2RY14 (0.40) P2RY14NR1H4MAPTEPHX2THRB
Hydrochloric Acid SCHEMBL9169356 0.91 MAPT (0.46) MAPTTHRBFAAH
Hydrochloric Acid SCHEMBL9167427 0.87 KCNJ5 (0.39) P2RY14MAPTEPHX2KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL9160754 0.87 KCNJ5 (0.39) P2RY14MAPTEPHX2KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL9164136 0.87 P2RY14 (0.54) P2RY14NR1H4MAPTLMNA
Hydrochloric Acid SCHEMBL9161430 0.87 P2RY14 (0.54) P2RY14NR1H4MAPTLMNA
Hydrochloric Acid SCHEMBL9168981 0.87 EPHX2 (0.42) P2RY14MAPTEPHX2LMNA
Hydrochloric Acid SCHEMBL9165072 0.87 EPHX2 (0.42) P2RY14MAPTEPHX2LMNA
Hydrochloric Acid SCHEMBL9167299 0.86 CNR1 (0.44) P2RY14MAPTLMNA
Hydrochloric Acid SCHEMBL9870998 0.86 CNR1 (0.44) P2RY14MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5432189-A Bis-aryl amide and urea antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1995-07-11 US disclosed
US-5350759-A Bis-aryl urea compounds WISSNER ALLAN (US) 1994-09-27 US disclosed
US-5231182-A Platelet activating factor inhibitor AMERICAN CYANAMID COMPANY (US) 1993-07-27 US disclosed
US-5225425-A Respiratory system disorders AMERICAN CYANAMID COMPANY (US) 1993-07-06 US disclosed
US-5128351-A BIS-ARYL AMIDE AND UREA ANTAGONISTS OF PLATELET ACTIVATING FACTOR AMERICAN CYANAMID COMPANY (US) 1992-07-07 US disclosed
US-5077409-A Reducing hydroxy bis-aryl amide, acylating, hydrolyzing, sulfonating, halogenating, alkylating with nitrogen heterocycle AMERICAN CYANAMID COMPANY (US) 1991-12-31 US disclosed