SCHEMBL12933744

SCHEMBL12933744

CNCCC(c1ccccc1)c1c[nH]c2c(Br)cccc12

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.66
SLC6A2 P23975 5/20 0.66
CYP2D6 P10635 1/20 0.66
KCNH2 Q12809 1/20 0.66
HTR2A P28223 2/20 0.50
HRH1 P35367 2/20 0.50
SLC6A3 Q01959 1/20 0.41
DYRK1A Q13627 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL2074712 0.86 SLC6A4 (0.67) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2075044 0.86 SLC6A4 (0.67) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2074877 0.85 SLC6A4 (0.66) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2071176 0.84 SLC6A4 (0.64) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2071079 0.82 SLC6A4 (0.63) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2073574 0.81 SLC6A4 (0.62) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2073872 0.81 SLC6A4 (0.67) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2074259 0.80 SLC6A4 (0.59) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2074218 0.80 SLC6A4 (1.00) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2073941 0.77 SLC6A4 (0.50) SLC6A4SLC6A2CYP2D6KCNH2HTR2A

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
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 US disclosed
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 US disclosed