Procaine

Procaine

SCHEMBL6901191

CCN(CC)CCOC(=O)c1ccc(N)cc1.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9A

The experimentally established mechanism targets of Procaine. 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 4/20 0.67
SCN2A known ✓ Q99250 4/20 0.67
SCN3A known ✓ Q9NY46 4/20 0.67
BLM P54132 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
CYP2D6 P10635 4/20 0.97
MAOA P21397 4/20 0.97
TSHR P16473 4/20 0.97
HRH3 Q9Y5N1 4/20 0.97
HTR3A P46098 2/20 0.97
PHLPP2 Q6ZVD8 1/20 0.69
LMNA P02545 5/20 0.67
ATM Q13315 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
CYP1A2 P05177 5/20 0.65
CYP3A4 P08684 4/20 0.65
KCNH2 Q12809 4/20 0.65
CHRM2 P08172 2/20 0.65
SLC6A3 Q01959 2/20 0.65
HTR1A P08908 1/20 0.65

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
Procaine SCHEMBL6337066 1.00 BLM (1.00) BLMNPSR1CYP2D6MAOATSHR
Procaine SCHEMBL5311049 1.00 BLM (1.00) BLMNPSR1CYP2D6MAOATSHR
Procaine SCHEMBL27720 1.00 BLM (1.00) BLMNPSR1CYP2D6MAOATSHR
Procaine SCHEMBL8533022 1.00 BLM (1.00) BLMNPSR1CYP2D6MAOATSHR
Procaine SCHEMBL3731588 1.00 BLM (1.00) BLMNPSR1CYP2D6MAOATSHR
Procaine SCHEMBL9543344 0.98 BLM (0.97) BLMNPSR1CYP2D6MAOATSHR
Procaine SCHEMBL28225045 0.98 BLM (0.97) BLMNPSR1CYP2D6MAOATSHR
Procaine SCHEMBL3524 0.98 CYP2D6 (1.00) BLMNPSR1CYP2D6MAOATSHR
Procaine SCHEMBL11581374 0.97 BLM (0.94) BLMNPSR1CYP2D6MAOATSHR
Procaine SCHEMBL3422994 0.97 CYP2D6 (0.97) BLMNPSR1CYP2D6MAOATSHR

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-2004032916-A1 A COMPOSITION COMPRISING SELEGELINE, PROCAINE, VINPOCETINE, TRIMETHYLGLYCINEAN AND A N-GABA INGREDIENT FOR TREATING NEURODEGENERATIVE DISORDERS UNIFUND CORPORATION LIMITED (GB) 2004-04-22 WO disclosed