Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8084823

FC(F)(F)c1cc(C2=Cc3ccccc3C2[Zr+2])cc(C(F)(F)F)c1.[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 20)

geneUniProtsupporting neighboursconfidence
TACR1 known ✓ P25103 1/20 0.30
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
P2RX1 P51575 2/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KIF11 P52732 1/20 0.31

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 SCHEMBL6290544 0.82 CNR1 (0.35) CNR1CNR2S1PR1S1PR3P2RX1
Hydrochloric Acid SCHEMBL3943546 0.82 CNR1 (0.35) CNR1CNR2S1PR1S1PR3P2RX1
Hydrochloric Acid SCHEMBL3946480 0.81 CNR1 (0.34) CNR1CNR2S1PR1S1PR3P2RX1
SCHEMBL6930680 0.80 CNR1 (0.35) CNR1CNR2MEN1CYP1A2POLB
Hydrochloric Acid SCHEMBL7937854 0.80 CNR1 (0.35) CNR1CNR2S1PR1S1PR3P2RX1
SCHEMBL7632084 0.79 CNR1 (0.35) CNR1CNR2S1PR1S1PR3MEN1
SCHEMBL7634910 0.79 CNR1 (0.35) CNR1CNR2S1PR1S1PR3P2RX1
Hydrochloric Acid SCHEMBL7928681 0.79 CNR1 (0.35) CNR1CNR2S1PR1S1PR3P2RX1
Hydrochloric Acid SCHEMBL7639533 0.78 CNR1 (0.35) CNR1CNR2S1PR1S1PR3P2RX1
Hydrochloric Acid SCHEMBL7652901 0.77 CNR1 (0.35) CNR1CNR2S1PR1S1PR3P2RX1

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-0745099-B1 REACTOR BLEND POLYPROPYLENE AND PROCESS FOR THE PREPARATION THEREOF MONTELL TECHNOLOGY COMPANY BV (NL) 2000-09-13 EP disclosed
US-5969070-A HOMOGENEOUS COMPOSITION FORMED FROM LINEAR OR BRANCHED CHAIN C3 TO C10 MONOMERS SUCH AS PROPYLENE, 1-BUTENE, 1-PENTENE, 4-METHYL-1-PENTENE, 1-HEXENE AND MIXTURES THEREOF, COMPRISING ALTERNATING ISOTACTIC AND ATACTIC DISASTEREOSEQUENCES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1999-10-19 US disclosed