SCHEMBL27643121

SCHEMBL27643121

C=CC(c1ccc(CN)cc1)S(=O)(=O)n1ccc2c(N3CCNCC3)cccc21

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 20/20 0.53
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR2A P28223 1/20 0.39

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
SCHEMBL28755539 0.89 HTR6 (0.53) HTR6HTR1ADRD2HTR2A
SCHEMBL27771240 0.85 HTR6 (0.56) HTR6
SCHEMBL27623636 0.80 HTR6 (0.55) HTR6HTR1ADRD2HTR2A
SCHEMBL28755482 0.80 HTR6 (0.60) HTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL27642981 0.79 HTR6 (0.58) HTR6HTR1ADRD2HTR2A
SCHEMBL28777651 0.79 HTR6 (0.34) HTR6HTR1A
SCHEMBL28777481 0.79 HDAC3 (0.35) HTR6HTR1A
SCHEMBL27643120 0.77 HTR6 (0.53) HTR6HTR1ADRD2HTR2A
SCHEMBL27750248 0.75 HTR6 (0.59) HTR6
SCHEMBL27750199 0.75 HTR6 (0.56) HTR6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101298433-A 2-, 3-, 4-, or 5-substituted-n1-(benzensulfonyl)indoles and their use in therapy BIOVITRUM AB (SE) 2008-11-05 — — CN disclosed
CN-100378074-C 2-, 3-, 4-or 5-substituted N1- (phenylsulfonyl) indoles and their therapeutic use BIOVITRUM AB (SE) 2008-04-02 — — CN disclosed
CN-1714077-A 2-, 3-, 4-or 5-substituted N1- (phenylsulfonyl) indoles and their therapeutic use BIOVITRUM AB (SE) 2005-12-28 — — CN disclosed
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