SCHEMBL27623634

SCHEMBL27623634

O=S(=O)(CC=Cc1cccc2ccccc12)n1ccc2c(N3CCNCC3)cccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 19/20 0.55
▸ HTR1A P08908 2/20 0.48
▸ HTR2A P28223 2/20 0.48
▸ HTR3E A5X5Y0 1/20 0.48
▸ HTR3B O95264 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ NCF1 P14598 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ HTR1D P28221 1/20 0.48
▸ HTR1B P28222 1/20 0.48
▸ HTR7 P34969 1/20 0.48
▸ MTOR P42345 1/20 0.48
▸ HTR3A P46098 1/20 0.48
▸ HTR5A P47898 1/20 0.48
▸ HTR3D Q70Z44 1/20 0.48
▸ HTR3C Q8WXA8 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL28755537 0.81 HTR6 (0.53) HTR6HTR1AHTR2ADRD2
SCHEMBL27643120 0.80 HTR6 (0.53) HTR6HTR1AHTR2ADRD2
SCHEMBL27593487 0.79 CYP1A2 (0.41) HTR6HTR1AHTR2AHTR3EHTR3B
SCHEMBL1136474 0.77 HTR6 (0.76) HTR6HTR1AHTR2AHTR3EHTR3B
Hydrochloric Acid SCHEMBL4319125 0.76 HTR6 (0.74) HTR6HTR1AHTR2AHTR3EHTR3B
Hydrochloric Acid SCHEMBL27643113 0.75 HTR6 (0.49) HTR6HTR1AHTR2ADRD2
SCHEMBL28750144 0.74 HTR6 (0.40) HTR6
SCHEMBL27771220 0.73 HTR6 (0.58) HTR6HTR1ACYP2D6HTR1DHTR1B
SCHEMBL27623636 0.72 HTR6 (0.55) HTR6HTR1AHTR2AHTR3EHTR3B
SCHEMBL28755482 0.72 HTR6 (0.60) HTR6HTR1AHTR2ADRD2

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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