SCHEMBL6533193

SCHEMBL6533193

[O-][S+](c1ccccc1)c1cn(CCCN(Cc2ccccc2)Cc2ccccc2)c2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.40
HTR6 P50406 4/20 0.37
GSK3B P49841 3/20 0.36
PRKCG P05129 2/20 0.36
PRKCB P05771 2/20 0.36
PRKCA P17252 2/20 0.36
CNR1 P21554 6/20 0.35
CNR2 P34972 6/20 0.35
CFTR P13569 1/20 0.34
APP P05067 1/20 0.33
SNCA P37840 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
DRD3 P35462 1/20 0.33
MAOB P27338 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
NCOR2 Q9Y618 1/20 0.32

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
SCHEMBL10735488 0.64 KMT2A (0.50) HTR6SNCA
SCHEMBL13437585 0.63 HDAC3 (0.46) HDAC3HTR6GSK3BPRKCBCNR1
SCHEMBL27220819 0.62 ALDH1A1 (0.51) MAOB
SCHEMBL4974601 0.60 HDAC3 (0.61) HDAC3DRD3MAOBHDAC1HDAC2
SCHEMBL11795941 0.60 HDAC3 (0.56) HDAC3CNR2DRD3MAOBHDAC1
SCHEMBL13437554 0.60 SMN1; SMN2 (0.50) HTR6GSK3BPRKCBCNR1CNR2
SCHEMBL20754343 0.59 HTT (0.61) DRD3
SCHEMBL9417672 0.59 GSK3B (0.44) HDAC3HTR6GSK3BPRKCGPRKCB
SCHEMBL11673147 0.59 HDAC3 (0.62) HDAC3DRD3MAOBHDAC1HDAC2
SCHEMBL24821329 0.58 HDAC1 (0.42) HDAC3HTR6HDAC1HDAC2HDAC8

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
EP-1509522-A1 1-(AMINOALKYL)-3-SULFONYLAZAINDOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth, A Corporation of the State of Delaware (US) 2005-03-02 EP disclosed
WO-2003101990-A1 1-(AMINOALKYL)-3-SULFONYLAZAINDOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2003-12-11 WO disclosed