SCHEMBL7141449

SCHEMBL7141449

CSc1nn2c(N3CCN(C)CC3)cc(CN3CCN(C)CC3)nc2c1S(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.55
HTR2B P41595 4/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL7135225 0.94 HTR6 (0.51) HTR6HTR2BKCNH2
SCHEMBL7141781 0.89 HTR6 (0.55) HTR6HTR2BKCNH2
SCHEMBL7137088 0.88 HTR6 (0.70) HTR6HTR2BKCNH2
SCHEMBL7136689 0.88 HTR6 (0.58) HTR6HTR2BKCNH2
SCHEMBL7140804 0.88 HTR6 (0.56) HTR6HTR2BKCNH2
SCHEMBL7133657 0.88 HTR6 (0.56) HTR6HTR2BKCNH2
SCHEMBL7136620 0.86 HTR6 (0.58) HTR6HTR2BKCNH2
SCHEMBL7140486 0.85 HTR6 (0.72) HTR6HTR2BKCNH2
SCHEMBL7137132 0.85 HTR6 (0.57) HTR6HTR2BKCNH2
SCHEMBL7140071 0.83 HTR6 (0.62) HTR6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0941994-B1 Pyrazolopyrimidines and pyrazolotriazines with 5-HT6 receptor affinity HOFFMANN LA ROCHE (CH) 2003-05-14 EP disclosed
US-6194410-B1 ANTISEROTONINE AGENTS; NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS HOFFMAN-LA ROCHE INC. 2001-02-27 US disclosed
EP-0941994-A1 Pyrazolopyrimidines and pyrazolotriazines with 5-HT6 receptor affinity F. HOFFMANN-LA ROCHE AG (CH) 1999-09-15 EP disclosed