SCHEMBL10695375

SCHEMBL10695375

CC(C)NS(=O)(=O)CCc1ccc2[nH]cc(CCN(C)C)c2c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.65
HTR1D P28221 6/20 0.65
HTR1B P28222 6/20 0.65
HTR5A P47898 6/20 0.65
HTR2C P28335 6/20 0.65
HTR2A P28223 3/20 0.65
HTR2B P41595 2/20 0.65
HTR7 P34969 2/20 0.65
HTR1E P28566 1/20 0.65
HTR1F P30939 1/20 0.65
HTR3A P46098 1/20 0.65
SLC47A1 Q96FL8 1/20 0.65
LMNA P02545 1/20 0.58
ADRA2B P18089 1/20 0.58
KCNH2 Q12809 1/20 0.58
HTR6 P50406 1/20 0.56
MPO P05164 1/20 0.51
SLC6A4 P31645 1/20 0.51

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
Oxalic Acid SCHEMBL10691226 0.95 HTR1D (0.60) HTR1AHTR1DHTR1BHTR5AHTR2C
SCHEMBL9800349 0.87 HTR1A (0.80) HTR1AHTR1DHTR1BHTR5AHTR2C
Hydrochloric Acid SCHEMBL9800365 0.86 HTR1A (0.79) HTR1AHTR1DHTR1BHTR5AHTR2C
Hydrochloric Acid SCHEMBL9800405 0.85 HTR1A (0.77) HTR1AHTR1DHTR1BHTR5AHTR2C
SCHEMBL8967257 0.85 HTR1A (0.67) HTR1AHTR1DHTR1BHTR5AHTR2C
Hydrochloric Acid SCHEMBL9800422 0.85 HTR1A (0.77) HTR1AHTR1DHTR1BHTR5AHTR2C
SCHEMBL10690805 0.83 HTR5A (0.61) HTR1AHTR1DHTR1BHTR5AHTR2C
SCHEMBL9800362 0.83 HTR1A (0.63) HTR1AHTR1DHTR1BHTR5AHTR2C
SCHEMBL10690623 0.83 HTR1A (0.63) HTR1AHTR1DHTR1BHTR5AHTR2C
Oxalic Acid SCHEMBL9800389 0.83 HTR1A (0.72) HTR1AHTR1DHTR1BHTR5AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4785016-A VASOCONSTRICTION, MIGRAINES ALKANEAMINO, ALKANE SULFONAMIDE INDOLES GLAXO GROUP LIMITED (GB) 1988-11-15 US disclosed