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Indole

Indole

SCHEMBL7840922

CN1CCC(c2c[nH]c3ccc(OS(=O)(=O)C(F)(F)F)nc23)CC1.c1ccc2[nH]ccc2c1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 20/20 0.65
▸ HTR1D P28221 15/20 0.65
▸ HTR1B P28222 15/20 0.65
▸ HTR1A P08908 12/20 0.51
▸ HTR2A P28223 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ HTR1E P28566 2/20 0.46
▸ HTR4 Q13639 2/20 0.46
▸ HTR6 P50406 1/20 0.46

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
SCHEMBL7012196 0.92 HTR1F (0.77) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7840743 0.84 HTR1F (0.61) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7831590 0.82 HTR1F (0.60) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7831796 0.81 HTR1F (0.61) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7831931 0.80 HTR1F (0.60) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7011996 0.74 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7014775 0.71 HTR1F (0.81) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL21590355 0.68 DRD2 (0.64) HTR6
SCHEMBL30909178 0.68 HTR1F (0.65) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL3257683 0.68 HTR1F (0.65) HTR1FHTR1DHTR1BHTR1AHTR2A

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
EP-1089993-A1 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2001-04-11 — — EP disclosed
WO-2000000487-A1 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2000-01-06 — — WO disclosed