SCHEMBL10690033

SCHEMBL10690033

CNS(=O)(=O)/C=C/c1ccc2[nH]cc(CCN(C)C)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.63
HTR7 P34969 4/20 0.63
HTR5A P47898 4/20 0.63
HTR1D P28221 11/20 0.60
HTR1A P08908 10/20 0.60
HTR1B P28222 9/20 0.60
HTR2A P28223 6/20 0.60
HTR2B P41595 5/20 0.60
HTR2C P28335 4/20 0.60
HTR1E P28566 3/20 0.60
HTR1F P30939 3/20 0.60
HTR3A P46098 3/20 0.60
SLC47A1 Q96FL8 1/20 0.60
CYP1A2 P05177 2/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL10690040 1.00 HTR6 (0.63) HTR6HTR7HTR5AHTR1DHTR1A
SCHEMBL10692576 0.86 HTR6 (0.56) HTR6HTR7HTR5AHTR1DHTR1A
SCHEMBL10692575 0.86 HTR6 (0.56) HTR6HTR7HTR5AHTR1DHTR1A
SCHEMBL10693047 0.84 HTR1A (0.50) HTR6HTR7HTR5AHTR1DHTR1A
SCHEMBL10693037 0.84 HTR1A (0.50) HTR6HTR7HTR5AHTR1DHTR1A
Oxalic Acid SCHEMBL10693415 0.84 KMT2A (0.53) HTR6HTR7HTR5AHTR1DHTR1A
Oxalic Acid SCHEMBL10691194 0.82 KMT2A (0.59) HTR6HTR7HTR5AHTR1DHTR1A
Oxalic Acid SCHEMBL10691201 0.82 KMT2A (0.59) HTR6HTR7HTR5AHTR1DHTR1A
Oxalic Acid SCHEMBL10693498 0.81 KMT2A (0.58) HTR6HTR7HTR5AHTR1DHTR1A
Oxalic Acid SCHEMBL10693485 0.81 KMT2A (0.58) HTR6HTR7HTR5AHTR1DHTR1A

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