SCHEMBL10693047

SCHEMBL10693047

CN(C)CCc1c[nH]c2ccc(C=CS(=O)(=O)NCCc3ccccc3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.50
HTR1D P28221 6/20 0.50
HTR1B P28222 6/20 0.50
HTR2A P28223 5/20 0.50
HTR5A P47898 4/20 0.50
HTR2B P41595 4/20 0.50
HTR2C P28335 4/20 0.50
HTR7 P34969 3/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
HTR1E P28566 1/20 0.50
HTR1F P30939 1/20 0.50
HTR3A P46098 1/20 0.50
SLC47A1 Q96FL8 1/20 0.50
HTR6 P50406 4/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL10693037 1.00 HTR1A (0.50) HTR1AHTR1DHTR1BHTR2AHTR5A
SCHEMBL10692576 0.85 HTR6 (0.56) HTR1AHTR1DHTR1BHTR2AHTR5A
SCHEMBL10692575 0.85 HTR6 (0.56) HTR1AHTR1DHTR1BHTR2AHTR5A
SCHEMBL10690033 0.84 HTR6 (0.63) HTR1AHTR1DHTR1BHTR2AHTR5A
SCHEMBL10690040 0.84 HTR6 (0.63) HTR1AHTR1DHTR1BHTR2AHTR5A
SCHEMBL10694681 0.80 HTR1D (0.69) HTR1AHTR1DHTR1BHTR2AHTR5A
SCHEMBL10694676 0.80 HTR1D (0.69) HTR1AHTR1DHTR1BHTR2AHTR5A
SCHEMBL10687914 0.79 HTR1A (0.61) HTR1AHTR1DHTR1BHTR2AHTR5A
Oxalic Acid SCHEMBL10693415 0.79 KMT2A (0.53) HTR1AHTR1DHTR1BHTR2AHTR5A
Oxalic Acid SCHEMBL10694021 0.79 HTR1A (0.53) HTR1AHTR1DHTR1BHTR2AHTR5A

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