Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8364768

CC1=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C2=C(c3ccccc3)C([Hf+2])c3ccccc32)c2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.35

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 10)

geneUniProtsupporting neighboursconfidence
TACR1 known ✓ P25103 11/20 0.35
GPBAR1 Q8TDU6 2/20 0.32
RXRA P19793 3/20 0.32
RXRB P28702 3/20 0.32
RXRG P48443 2/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 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 1.00 TACR1 (0.35) TACR1GPBAR1RXRARXRBRXRG
Hydrochloric Acid SCHEMBL8364207 0.96 TACR1 (0.33) TACR1GPBAR1RXRARXRB
Hydrochloric Acid SCHEMBL8364269 0.90 RXRB (0.33) RXRARXRBRXRG
Hydrochloric Acid SCHEMBL8365950 0.87 LMNA (0.32)
Hydrochloric Acid SCHEMBL8361917 0.86 TACR1 (0.36) TACR1GPBAR1RXRARXRBRXRG
Hydrochloric Acid SCHEMBL8366175 0.86 TACR1 (0.36) TACR1GPBAR1RXRARXRBRXRG
Hydrochloric Acid SCHEMBL8361840 0.82 TACR1 (0.33) TACR1GPBAR1RXRARXRB
Hydrochloric Acid SCHEMBL6927034 0.79 TACR1 (0.34) TACR1CNR1CNR2
Hydrochloric Acid SCHEMBL6927007 0.77 TACR1 (0.34) TACR1GPBAR1
Hydrochloric Acid SCHEMBL6927670 0.77 TACR1 (0.34) TACR1GPBAR1

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