SCHEMBL3673525

SCHEMBL3673525

O=COc1cn(S(=O)(=O)c2cccc3c2CCO3)c2cccc(N3CCNCC3)c12

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.46
HTR2C P28335 4/20 0.39
ADRB1 P08588 1/20 0.38

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
SCHEMBL3673360 0.86 HTR6 (0.46) HTR6HTR2C
SCHEMBL3678416 0.83 HTR6 (0.49) HTR6HTR2C
SCHEMBL5005907 0.78 HTR6 (0.64) HTR6ADRB1
Formic Acid SCHEMBL3673523 0.78 HTR6 (0.59) HTR6ADRB1
SCHEMBL3627280 0.76 HTR6 (0.45) HTR6HTR2CADRB1
SCHEMBL3676041 0.75 HTR6 (0.46) HTR6HTR2C
SCHEMBL3621401 0.71 HTR6 (0.38) HTR6ADRB1
SCHEMBL5368588 0.69 ADRB1 (0.65) HTR6ADRB1
SCHEMBL3679746 0.68 HTR6 (0.49) HTR6HTR2C
Hydrochloric Acid SCHEMBL27237927 0.68 ADRB1 (0.63) HTR6ADRB1

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