SCHEMBL7140144

SCHEMBL7140144

COCc1cc(N)n2nc(SC)c(S(=O)(=O)c3ccccc3)c2n1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.79
HTR2B P41595 2/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL7141439 0.90 HTR6 (0.64) HTR6HTR2BKCNH2
SCHEMBL12427005 0.88 HTR6 (1.00) HTR6
SCHEMBL7133499 0.88 HTR6 (0.79) HTR6HTR2BKCNH2
SCHEMBL7140759 0.88 HTR6 (0.79) HTR6HTR2BKCNH2
SCHEMBL7137090 0.85 HTR6 (0.60) HTR6HTR2BKCNH2
SCHEMBL7134694 0.82 HTR6 (0.78) HTR6HTR2BKCNH2
SCHEMBL7137088 0.82 HTR6 (0.70) HTR6HTR2BKCNH2
SCHEMBL7135365 0.81 HTR6 (0.67) HTR6HTR2BKCNH2
SCHEMBL7133657 0.81 HTR6 (0.56) HTR6HTR2BKCNH2
SCHEMBL12428286 0.80 HTR6 (1.00) 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