SCHEMBL1725840

SCHEMBL1725840

CN1CCN(c2cc(NS(=O)(=O)c3cccc(OC(F)F)c3)ccc2OC(F)(F)F)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.57
HTR1A P08908 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
HTR7 P34969 2/20 0.50
DRD3 P35462 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
DRD2 P14416 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR1E P28566 1/20 0.50
HTR1F P30939 1/20 0.50
CYP2C19 P33261 1/20 0.50
ADRA1B P35368 1/20 0.50
HTR2B P41595 1/20 0.50
HTR4 Q13639 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 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
Hydrochloric Acid SCHEMBL1611695 0.99 HTR6 (0.56) HTR6HTR1AHTR2AHTR2CHTR7
SCHEMBL1613097 0.90 HTR6 (0.71) HTR6HTR1AHTR2AHTR2CHTR7
SCHEMBL1611972 0.89 HTR6 (0.56) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1612888 0.88 TGFBR1 (0.49) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL7903001 0.86 HTR6 (0.66) HTR6HTR1AHTR2AHTR2CHTR7
Hydrochloric Acid SCHEMBL856152 0.86 HTR6 (0.65) HTR6HTR1AHTR2AHTR2CHTR7
SCHEMBL616802 0.82 HTR6 (0.62) HTR6HTR1AHTR2AHTR2CHTR7
Hydrochloric Acid SCHEMBL617216 0.81 HTR6 (0.61) HTR6HTR1AHTR2AHTR2CHTR7
SCHEMBL1725866 0.80 HTR6 (0.71) HTR6
SCHEMBL1612319 0.79 HTR6 (0.54) HTR6HTR1AHTR2AHTR2CHTR7

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