SCHEMBL14040447

SCHEMBL14040447

CC(N)(S)Cc1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.69
SLC6A2 P23975 3/20 0.69
SLC6A3 Q01959 2/20 0.69
HTR2A P28223 1/20 0.69
HRH1 P35367 1/20 0.69
HTR2B P41595 1/20 0.69
CHRNA4 P43681 1/20 0.69
IDO1 P14902 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.42
PMP22 Q01453 1/20 0.42
NLRP3 Q96P20 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL3011129 0.82 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3HTR2AHRH1
Chlorphentermine SCHEMBL160516 0.82 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3HTR2AHRH1
Chlorphentermine SCHEMBL124013 0.80 SLC6A2 (0.95) SLC6A4SLC6A2SLC6A3HTR2AHRH1
Chlorphentermine SCHEMBL1885131 0.78 SLC6A2 (0.91) SLC6A4SLC6A2SLC6A3HTR2AHRH1
Chlorphentermine SCHEMBL10801397 0.77 SLC6A4 (0.88) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL28848601 0.77 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL73498 0.77 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL332504 0.77 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL2556572 0.74 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL2264244 0.74 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3HTR2AHRH1

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
EP-1982595-A1 Insecticidal derivatives of substituted aminoheterocycles Bayer CropScience AG (DE) 2008-10-22 EP disclosed