SCHEMBL12933675

SCHEMBL12933675

[C-]#[N+]c1ccc2[nH]cc(C(CCNC)c3ccccc3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.67
▸ SLC6A2 P23975 2/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ KCNH2 Q12809 1/20 0.67
▸ SLC6A3 Q01959 1/20 0.46
▸ HTR2A P28223 3/20 0.46
▸ HRH1 P35367 2/20 0.46
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GPR84 Q9NQS5 2/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ SRC P12931 2/20 0.39
▸ MAPT P10636 4/20 0.38
▸ TP53 P04637 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MGAM O43451 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SI P14410 1/20 0.37
▸ MGAM2 Q2M2H8 1/20 0.37
▸ ALDH1A1 P00352 2/20 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
SCHEMBL12933709 0.82 SLC6A4 (0.72) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL2072636 0.82 SLC6A4 (0.72) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL2074218 0.81 SLC6A4 (1.00) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL2072655 0.80 SLC6A4 (0.69) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL2075069 0.79 SLC6A4 (0.67) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL13157395 0.78 SLC6A4 (0.56) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL3232638 0.75 SLC6A4 (0.72) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL2073934 0.75 SLC6A4 (0.72) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL2074801 0.75 SLC6A4 (0.72) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL13157388 0.74 SLC6A4 (0.60) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3

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