Benoxinate

Benoxinate

SCHEMBL15532182

CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N.[Cl-].[H+]

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9A

The experimentally established mechanism targets of Benoxinate. 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
SCN1A known ✓ P35498 5/20 0.95
SCN2A known ✓ Q99250 5/20 0.95
SCN3A known ✓ Q9NY46 5/20 0.95
CYP2D6 P10635 6/20 0.95
CYP1A2 P05177 6/20 0.95
TSHR P16473 5/20 0.95
HRH3 Q9Y5N1 4/20 0.95
KCNH2 Q12809 4/20 0.95
SLC6A3 Q01959 2/20 0.95
SLC6A2 P23975 1/20 0.95
HIF1A Q16665 1/20 0.95
RAD52 P43351 1/20 0.93
CYP3A4 P08684 4/20 0.69
MAOA P21397 3/20 0.69
CYP2C19 P33261 2/20 0.69
SIGMAR1 Q99720 1/20 0.69
HTR3A P46098 3/20 0.57
BLM P54132 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
LMNA P02545 4/20 0.55

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
Benoxinate SCHEMBL30849863 0.98 CYP2D6 (1.00) CYP2D6CYP1A2SCN1ASCN2ASCN3A
Benoxinate SCHEMBL25087 0.98 CYP2D6 (1.00) CYP2D6CYP1A2SCN1ASCN2ASCN3A
Benoxinate SCHEMBL212440 0.96 RAD52 (1.00) CYP2D6CYP1A2SCN1ASCN2ASCN3A
Benoxinate SCHEMBL1649661 0.96 RAD52 (1.00) CYP2D6CYP1A2SCN1ASCN2ASCN3A
Benoxinate SCHEMBL16633604 0.93 CYP2D6 (0.91) CYP2D6CYP1A2SCN1ASCN2ASCN3A
Benoxinate SCHEMBL18740891 0.92 CYP2D6 (0.89) CYP2D6CYP1A2SCN1ASCN2ASCN3A
SCHEMBL13439964 0.92 CYP2D6 (0.89) CYP2D6CYP1A2SCN1ASCN2ASCN3A
Betoxycaine SCHEMBL6898673 0.88 CYP2D6 (0.82) CYP2D6CYP1A2SCN1ASCN2ASCN3A
SCHEMBL10533525 0.88 CYP2D6 (0.83) CYP2D6CYP1A2SCN1ASCN2ASCN3A
SCHEMBL14304165 0.88 CYP2D6 (0.82) CYP2D6CYP1A2SCN1ASCN2ASCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120121749-A Method for detecting 18 local anesthetics in cosmetics 苏州市药品检验检测研究中心(苏州市药品不良反应监测中心) 2025-06-10 CN disclosed
EP-2846788-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN Akron Molecules AG (AT) 2015-03-18 EP disclosed
WO-2013167743-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN AKRON MOLECULES GMBH (AT) 2013-11-14 WO disclosed