SCHEMBL3391640

SCHEMBL3391640

O=S(=O)(c1ccc2c(c1)OCC=N2)n1cc(C2CCNC2)c2ncccc21

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.42
HTR1A P08908 2/20 0.35
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL3199290 0.83 HTR6 (0.43) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3394481 0.82 HTR6 (0.39) HTR6
SCHEMBL3204610 0.81 HTR6 (0.43) HTR6
SCHEMBL3194665 0.81 HTR6 (0.42) HTR6HTR1A
SCHEMBL3217047 0.81 HTR6 (0.42) HTR6HTR1A
SCHEMBL3204978 0.81 HTR6 (0.42) HTR6HTR1A
SCHEMBL3203594 0.80 HTR6 (0.42) HTR6
SCHEMBL3203927 0.80 HTR6 (0.61) HTR6HTR1ADRD2
SCHEMBL3204063 0.80 HTR6 (0.61) HTR6HTR1ADRD2
SCHEMBL3215266 0.80 HTR6 (0.61) HTR6HTR1ADRD2

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
WO-2010011546-A2 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-28 WO claimed