SCHEMBL28781698

SCHEMBL28781698

C=CC(n1ccc2c(CN3CCC3)cccc21)S(=O)(=O)c1cccc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 15/20 0.41
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ KCNH2 Q12809 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33

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
SCHEMBL27750210 0.91 HTR6 (0.43) HTR6CYP3A4CYP2D6KCNH2
SCHEMBL3626402 0.79 HTR6 (0.62) HTR6CYP3A4CYP2D6DRD3KCNH2
SCHEMBL28781697 0.75 HTR6 (0.41) HTR6CYP3A4CYP2D6KCNH2HTR2A
SCHEMBL27785794 0.72 MCOLN3 (0.43) HTR6CYP3A4CYP2D6DRD2DRD3
Trifluoroacetic Acid SCHEMBL3623671 0.72 HTR6 (0.56) HTR6CYP3A4CYP2D6DRD3KCNH2
SCHEMBL3623255 0.70 HTR6 (0.64) HTR6CYP3A4CYP2D6DRD2DRD3
SCHEMBL27750208 0.67 HTR6 (0.43) HTR6CYP3A4CYP2D6
SCHEMBL3621706 0.65 HTR6 (0.80) HTR6CYP3A4CYP2D6DRD2DRD3
Trifluoroacetic Acid SCHEMBL3623124 0.64 HTR6 (0.57) HTR6CYP3A4CYP2D6DRD3KCNH2
SCHEMBL27771179 0.63 HTR6 (0.47) HTR6CYP3A4CYP2D6

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
CN-101484420-A Indoles as 5-HT 6 modulators BIOVITRUM AB PUBL (SE) 2009-07-15 — — CN claimed
CN-101484420-A Indoles as 5-HT 6 modulators BIOVITRUM AB PUBL (SE) 2009-07-15 — — CN disclosed
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