Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8364207

CC1=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C2=C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C([Hf+2])c3ccccc32)c2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.33

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
TACR1 known ✓ P25103 8/20 0.33
IKBKB O14920 1/20 0.32
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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 SCHEMBL8366096 0.96 TACR1 (0.35) TACR1RXRARXRBGPBAR1
Hydrochloric Acid SCHEMBL8364768 0.96 TACR1 (0.35) TACR1RXRARXRBGPBAR1
Hydrochloric Acid SCHEMBL8364269 0.86 RXRB (0.33) RXRARXRB
Hydrochloric Acid SCHEMBL8361840 0.85 TACR1 (0.33) TACR1HTR1AHTR7RXRARXRB
Hydrochloric Acid SCHEMBL8366175 0.82 TACR1 (0.36) TACR1RXRARXRBGPBAR1MEN1
Hydrochloric Acid SCHEMBL8361917 0.82 TACR1 (0.36) TACR1RXRARXRBGPBAR1MEN1
Hydrochloric Acid SCHEMBL8365950 0.82 LMNA (0.32)
SCHEMBL8366201 0.77 TACR1 (0.32) TACR1IKBKBHTR1AHTR7RXRA
Hydrochloric Acid SCHEMBL6927034 0.77 TACR1 (0.34) TACR1
Hydrochloric Acid SCHEMBL7526331 0.75 HTR1A (0.32) TACR1HTR1AHTR7MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999035171-A1 HIGH-MELTING POLYOLEFIN COPOLYMER ELASTOMERS, CATALYSTS AND METHODS OF SYNTHESIS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JR. UNIVERSITY (US) 1999-07-15 WO disclosed