SCHEMBL1399342

SCHEMBL1399342

CCc1cccc2c(Sc3ccc(C)cc3CCN)c[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1D P28221 2/20 0.42
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 4/20 0.40
SLC6A2 P23975 3/20 0.40
MPO P05164 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
HTR1A P08908 1/20 0.35
HTR1B P28222 1/20 0.35

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
SCHEMBL1399320 0.88 MEN1 (0.46) HTR2AMAPTSMN1; SMN2NPSR1GAA
SCHEMBL1399237 0.85 IFNAR1 (0.43) SMN1; SMN2GAAMEN1RAB9AKMT2A
SCHEMBL1399403 0.81 HTR2A (0.55) HTR2AMAPTSMN1; SMN2NPSR1HTR1D
SCHEMBL1399393 0.81 HTR2A (0.43) HTR2AMAPTSMN1; SMN2NPSR1GAA
SCHEMBL2154532 0.77 TAAR1 (0.62) HTR2AMAPTGAAMEN1RAB9A
SCHEMBL1399206 0.76 HTR2A (0.58) HTR2AMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL1399281 0.76 HTR2A (0.58) HTR2AMAPTSMN1; SMN2NPSR1SLC6A4
SCHEMBL1399490 0.74 IDO1 (0.59) HTR2AHTR1DSLC6A4HTR1AHTR1B
SCHEMBL4633098 0.74 HTR2A (0.58) HTR2AMEN1KMT2AHTR1DSLC6A4
SCHEMBL4633963 0.74 HTR2A (0.54) HTR2AMEN1KMT2AHTR1DSLC6A4

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-1860100-B1 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI LUNDBECK & CO AS H (DK) 2011-03-02 EP claimed