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Sugi Predict / Compounds / SCHEMBL5201888

SCHEMBL5201888

SCHEMBL5201888

O=S(=O)(c1cc2cccc(N3CCNCC3)c2[nH]1)c1ccccc1F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 16/20 0.71
▸ HTR1A P08908 2/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ HTR7 P34969 2/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ HTR3E A5X5Y0 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ NCF1 P14598 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ HTR5A P47898 1/20 0.43
▸ HTR3D Q70Z44 1/20 0.43
▸ HTR3C Q8WXA8 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL14445203 0.88 HTR6 (0.55) HTR6HTR1AHTR2AHTR7DRD2
SCHEMBL5201594 0.86 HTR6 (0.67) HTR6HTR1AHTR2AHTR7DRD2
SCHEMBL5202025 0.83 HTR6 (0.67) HTR6HTR1AHTR2AHTR7DRD2
SCHEMBL5204854 0.83 HTR6 (1.00) HTR6HTR1AHTR2AHTR7DRD2
SCHEMBL4676720 0.82 HTR6 (0.71) HTR6HTR1AHTR2AHTR7HTR3E
SCHEMBL14395298 0.77 HTR6 (0.62) HTR6HTR1AHTR2AHTR7DRD2
SCHEMBL5202731 0.77 HTR6 (0.62) HTR6HTR1AHTR2AHTR7DRD2
SCHEMBL6698850 0.76 HTR6 (0.63) HTR6HTR1AHTR2AHTR7HTR3E
SCHEMBL3559439 0.75 HTR6 (0.74) HTR6HTR1AHTR2AHTR7DRD2
SCHEMBL5201187 0.74 HTR6 (0.53) HTR6HTR1AHTR2AHTR7DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587788-B9 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-10-24 — — EP claimed
EP-1587788-B1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-05-16 — — EP claimed
EP-1587788-A1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-26 — — EP claimed
WO-2004026830-A1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-01 — — WO claimed
EP-1587788-B9 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-10-24 — — EP disclosed
EP-1587788-B9 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-10-24 — — EP disclosed
US-7247651-B2 2,7-substituted indoles ROCHE PALO ALTO LLC (US) 2007-07-24 — — US disclosed
US-7247651-B2 2,7-substituted indoles ROCHE PALO ALTO LLC (US) 2007-07-24 — — US disclosed
US-7247651-B2 2,7-substituted indoles ROCHE PALO ALTO LLC (US) 2007-07-24 — — US disclosed
EP-1587788-B1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-05-16 — — EP disclosed
EP-1587788-B1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS HOFFMANN LA ROCHE (CH) 2007-05-16 — — EP disclosed
EP-1587788-A1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-26 — — EP disclosed
WO-2004026830-A1 2,7-SUBSTITUTED INDOLES AND THEIR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-01 — — WO disclosed