SCHEMBL27771239

SCHEMBL27771239

NCc1ccc(C=CCS(=O)(=O)n2ccc3c(CN4CCNCC4)cccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 20/20 0.56
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ HTR1A P08908 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ HTR1F P30939 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ DRD3 P35462 1/20 0.37

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
SCHEMBL27750198 0.90 HTR6 (0.57) HTR6CYP3A4CYP2D6
SCHEMBL27750247 0.89 HTR6 (0.56) HTR6CYP3A4CYP2D6
SCHEMBL27750235 0.88 HTR6 (0.42) HTR6CYP3A4CYP2D6HTR1AHTR1D
SCHEMBL27771220 0.87 HTR6 (0.58) HTR6CYP3A4CYP2D6HTR1AHTR1D
SCHEMBL27643120 0.85 HTR6 (0.53) HTR6HTR1A
SCHEMBL27771190 0.83 HTR6 (0.54) HTR6CYP3A4CYP2D6HTR7
SCHEMBL27771227 0.82 HTR6 (0.52) HTR6CYP3A4CYP2D6HTR1D
SCHEMBL27771249 0.78 HTR6 (0.47) HTR6CYP3A4CYP2D6
SCHEMBL28777649 0.78 HTR6 (0.36) HTR6CYP3A4CYP2D6HTR1AHTR1D
SCHEMBL27771240 0.77 HTR6 (0.56) 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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