SCHEMBL10554584

SCHEMBL10554584

CN(C)S(=O)(=O)Nc1ccc2[nH]cc(CCN)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 9/20 0.56
HTR1A P08908 7/20 0.56
HTR6 P50406 6/20 0.54
HTR2A P28223 6/20 0.53
HTR1B P28222 5/20 0.51
TRPM8 Q7Z2W7 4/20 0.50
CYP1A2 P05177 3/20 0.50
HTR2C P28335 3/20 0.50
HTR7 P34969 3/20 0.50
TSHR P16473 2/20 0.50
HTR4 Q13639 2/20 0.50
MAPT P10636 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
MPO P05164 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
DRD1 P21728 1/20 0.50

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
SCHEMBL2538876 0.86 SPR (0.61) HTR1DHTR1AHTR6HTR2AHTR1B
SCHEMBL10551426 0.81 CSNK2A1 (0.51) HTR1DHTR1AHTR6HTR2AHTR1B
SCHEMBL10743461 0.81 HTR1A (0.59) HTR1DHTR1AHTR6HTR2AHTR1B
SCHEMBL1578266 0.78 HTR1D (0.57) HTR1DHTR1AHTR6HTR2AHTR1B
SCHEMBL10577690 0.78 HTR1D (0.61) HTR1DHTR1AHTR6HTR2AHTR1B
SCHEMBL9598772 0.76 HTR1D (0.63) HTR1DHTR1AHTR6HTR2AHTR1B
SCHEMBL10552982 0.75 HTR1D (0.69) HTR1DHTR1AHTR6HTR2AHTR1B
SCHEMBL9800420 0.75 HTR1D (0.61) HTR1DHTR1AHTR6HTR2AHTR1B
SCHEMBL273110 0.75 HTR1D (0.56) HTR1DHTR1AHTR6HTR2AHTR1B
SCHEMBL13333259 0.75 HTR6 (0.76) HTR6

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-4839377-A TREATMENT OF MIGRAINE GLAXO GROUP LIMITED (GB) 1989-06-13 US disclosed