SCHEMBL1725962

SCHEMBL1725962

COc1ccc(NS(=O)(=O)c2ccc(OC(F)F)cc2)cc1N1CCNCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.73
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
HTR1A P08908 1/20 0.57
CYP2D6 P10635 1/20 0.57
DRD2 P14416 1/20 0.57
HTR1D P28221 1/20 0.57
HTR1B P28222 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
HTR1E P28566 1/20 0.57
HTR1F P30939 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTR7 P34969 1/20 0.57
ADRA1B P35368 1/20 0.57
DRD3 P35462 1/20 0.57
HTR2B P41595 1/20 0.57
HTR4 Q13639 1/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57

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
Hydrochloric Acid SCHEMBL1613077 0.99 HTR6 (0.71) HTR6CYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL616756 0.94 HTR6 (0.73) HTR6HTR7HTR4
Hydrochloric Acid SCHEMBL616793 0.93 HTR6 (0.71) HTR6HTR7HTR4
SCHEMBL1726110 0.90 HTR6 (0.70) HTR6HTR7HTR4
SCHEMBL1725866 0.89 HTR6 (0.71) HTR6
SCHEMBL1725879 0.89 HTR6 (0.60) HTR6CYP1A2CYP3A4HTR1ACYP2D6
Hydrochloric Acid SCHEMBL1610581 0.89 HTR6 (0.68) HTR6HTR7HTR4
SCHEMBL1613169 0.89 HTR6 (0.72) HTR6CYP1A2CYP3A4HTR1ACYP2D6
Hydrochloric Acid SCHEMBL1611917 0.89 HTR6 (0.70) HTR6
Hydrochloric Acid SCHEMBL1612948 0.88 HTR6 (0.59) HTR6CYP1A2CYP3A4HTR1ACYP2D6

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
WO-2011163279-A3 LOW-POWER WIRELESSLY-LINKED RFID TRACKING SYSTEM ROSE MARK D (US) 2012-05-10 WO claimed
EP-2217583-B1 BENZENESULFONANILIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-11-30 EP claimed