SCHEMBL27750247

SCHEMBL27750247

CN1CCN(Cc2cccc3c2ccn3S(=O)(=O)CC=Cc2ccc(CN)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 20/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ CYP2D6 P10635 2/20 0.56

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
SCHEMBL27771239 0.89 HTR6 (0.56) HTR6CYP3A4CYP2D6
SCHEMBL27771129 0.87 HTR6 (0.58) HTR6CYP3A4CYP2D6
SCHEMBL27750235 0.84 HTR6 (0.42) HTR6CYP3A4CYP2D6
SCHEMBL27750198 0.78 HTR6 (0.57) HTR6CYP3A4CYP2D6
SCHEMBL28777649 0.78 HTR6 (0.36) HTR6CYP3A4CYP2D6
SCHEMBL27750248 0.77 HTR6 (0.59) HTR6CYP3A4CYP2D6
SCHEMBL27771177 0.76 HTR6 (0.46) HTR6CYP3A4CYP2D6
SCHEMBL28777480 0.76 HDAC3 (0.36) HTR6
SCHEMBL27643120 0.75 HTR6 (0.53) HTR6
SCHEMBL27760514 0.75 HTR6 (0.63) 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 1 patent. 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 disclosed
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