SCHEMBL8645901

SCHEMBL8645901

CN(C)CC(OP(O)(=S)S)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.46
HRH1 P35367 4/20 0.46
TDP1 Q9NUW8 1/20 0.44
SLC6A2 P23975 8/20 0.41
SLC6A4 P31645 8/20 0.41
SLC6A3 Q01959 8/20 0.41
AOC3 Q16853 3/20 0.37
CYP2D6 P10635 3/20 0.36
KCNH2 Q12809 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36
ADRA2B P18089 1/20 0.36
CHRM3 P20309 1/20 0.36
HRH2 P25021 1/20 0.36

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
SCHEMBL8639539 0.82 SLC22A1 (0.36) HTR2AHRH1TDP1SLC6A2SLC6A4
SCHEMBL9231169 0.82 LMNA (0.41) AOC3LMNA
SCHEMBL8641673 0.81 HIF1A (0.35) HTR2AHRH1TDP1SLC6A2SLC6A4
SCHEMBL8639009 0.80 TAAR1 (0.42) HTR2AHRH1SLC6A2SLC6A4SLC6A3
SCHEMBL8147998 0.79 ATM (0.34) SLC6A4HTR2CKDM4E
SCHEMBL8146390 0.78 SCN1A (0.36) SLC6A2SLC6A4SLC6A3LMNACHRM2
SCHEMBL8639222 0.76 ADRA2A (0.38) SLC6A2SLC6A4SLC6A3ADRA2AADRA2B
SCHEMBL8645772 0.73 TRPA1 (0.36) LMNA
SCHEMBL8642476 0.73 ALDH1A1 (0.34) SLC6A2SLC6A4SLC6A3LMNAOPRM1
SCHEMBL9493145 0.72 HTR2A (0.59) HTR2AHRH1TDP1SLC6A2SLC6A4

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
US-5804569-A ANTIINFLAMMATORY, ANTIARRHYMIC AND LOCAL ANESTHETIC AGENT CLARION PHARMACEUTICALS INC. (US) 1998-09-08 US disclosed