SCHEMBL28755539

SCHEMBL28755539

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 18/20 0.53
▸ DRD2 P14416 3/20 0.41
▸ HTR1A P08908 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ HTR7 P34969 1/20 0.38

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
SCHEMBL27643121 0.89 HTR6 (0.53) HTR6DRD2HTR1AHTR2A
SCHEMBL27750199 0.83 HTR6 (0.56) HTR6
SCHEMBL27623636 0.81 HTR6 (0.55) HTR6DRD2HTR1AHTR2AHTR7
SCHEMBL27771343 0.79 HDAC3 (0.35) HTR6
SCHEMBL4321340 0.79 HTR6 (0.80) HTR6DRD2HTR1AHTR2A
Hydrochloric Acid SCHEMBL4314129 0.78 HTR6 (0.78) HTR6DRD2HTR1AHTR2A
Hydrochloric Acid SCHEMBL27643115 0.76 HTR6 (0.48) HTR6DRD2HTR1AHTR2A
SCHEMBL28755537 0.74 HTR6 (0.53) HTR6DRD2HTR1AHTR2A
SCHEMBL27771240 0.74 HTR6 (0.56) HTR6
SCHEMBL27771251 0.74 HTR6 (0.47) 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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