SCHEMBL7138409

SCHEMBL7138409

CCOC(=O)Cc1c(C)nc2c(S(=O)(=O)c3ccccc3)c(SC)nn2c1O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.59
HTR2B P41595 2/20 0.52
KCNH2 Q12809 1/20 0.52
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL12427017 0.91 HTR6 (0.70) HTR6HTR2BKCNH2NPSR1TDP1
SCHEMBL7136576 0.90 HTR6 (0.60) HTR6HTR2BKCNH2NPSR1TDP1
SCHEMBL12427110 0.85 HTR6 (0.53) HTR6HTR2BKCNH2
SCHEMBL12428285 0.84 HTR6 (0.60) HTR6HTR2BKCNH2
SCHEMBL12427018 0.83 HTR6 (0.69) HTR6NPSR1TDP1L3MBTL1
SCHEMBL12441273 0.83 HTR6 (0.63) HTR6HTR2BKCNH2
SCHEMBL12428284 0.81 HTR6 (0.61) HTR6NPSR1TDP1L3MBTL1
SCHEMBL12428309 0.80 HTR6 (0.68) HTR6HTR2BKCNH2
SCHEMBL12428356 0.76 HTR6 (0.81) HTR6NPSR1TDP1L3MBTL1
SCHEMBL12427020 0.76 HTR6 (0.71) HTR6HTR2BKCNH2

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