SCHEMBL27750199

SCHEMBL27750199

C=CC(c1ccc(F)cc1)S(=O)(=O)n1ccc2c(CN3CCNCC3)cccc21

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 19/20 0.56
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2D6 P10635 3/20 0.42

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
SCHEMBL27771240 0.91 HTR6 (0.56) HTR6CYP3A4CYP2D6
SCHEMBL27771251 0.88 HTR6 (0.47) HTR6CYP3A4CYP2D6
SCHEMBL27771228 0.85 HTR6 (0.52) HTR6CYP3A4CYP2D6
SCHEMBL27771191 0.84 HTR6 (0.53) HTR6CYP3A4CYP2D6
SCHEMBL28755539 0.83 HTR6 (0.53) HTR6
SCHEMBL27771221 0.82 HTR6 (0.57) HTR6CYP3A4CYP2D6
SCHEMBL3626963 0.80 HTR6 (0.81) HTR6CYP3A4CYP2D6
SCHEMBL27750248 0.79 HTR6 (0.59) HTR6CYP3A4CYP2D6
SCHEMBL27750237 0.79 HTR6 (0.42) HTR6CYP3A4CYP2D6
SCHEMBL27771179 0.77 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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