SCHEMBL3679746

SCHEMBL3679746

CO[C@@H]1CCN(c2cccc(S(=O)(=O)n3cc(OC=O)c4c(N5CCNCC5)cccc43)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.49
HTR2C P28335 3/20 0.42
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
HTR7 P34969 2/20 0.41

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
SCHEMBL3676041 0.86 HTR6 (0.46) HTR6HTR2C
SCHEMBL3338878 0.82 HTR6 (0.49) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3670408 0.81 HTR6 (0.61) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3670406 0.81 HTR6 (0.61) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL13993619 0.81 HTR6 (0.61) HTR6HTR1ADRD2HTR2AHTR7
Formic Acid SCHEMBL3679749 0.81 HTR6 (0.57) HTR6HTR1ADRD2HTR2AHTR7
Formic Acid SCHEMBL3679742 0.81 HTR6 (0.57) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3624671 0.80 HTR6 (0.45) HTR6HTR2CHTR1ADRD2HTR2A
SCHEMBL3625137 0.80 HTR6 (0.45) HTR6HTR2CHTR1ADRD2HTR2A
SCHEMBL5097194 0.77 HTR6 (0.49) HTR6HTR1ADRD2HTR2AHTR7

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
EP-2162433-A2 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY Memory Pharmaceuticals Corporation (US) 2010-03-17 EP disclosed
WO-2008147812-A2 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-12-04 WO disclosed