SCHEMBL7140167

SCHEMBL7140167

CCCc1cc(N2CCNCC2)n2nc(SC)c(S(=O)(=O)c3ccccc3)c2n1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.64
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTR2B P41595 2/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL7141412 0.90 HTR6 (0.61) HTR6HTR2BKCNH2
SCHEMBL7141781 0.90 HTR6 (0.55) HTR6KDM4EALDH1A1MAPTHPGD
SCHEMBL7134650 0.86 HTR6 (0.72) HTR6HTR2BKCNH2
SCHEMBL7133715 0.85 HTR6 (0.66) HTR6HTR2BKCNH2
SCHEMBL7137639 0.84 HTR6 (0.67) HTR6HTR2BKCNH2
SCHEMBL7900101 0.83 HTR6 (0.66) HTR6HTR2BKCNH2
SCHEMBL7138505 0.81 HTR6 (0.61) HTR6HTR2BKCNH2
SCHEMBL7136620 0.80 HTR6 (0.58) HTR6HTR2BKCNH2
SCHEMBL7141449 0.79 HTR6 (0.55) HTR6HTR2BKCNH2
SCHEMBL7137088 0.78 HTR6 (0.70) 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 6 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 claimed
US-6194410-B1 ANTISEROTONINE AGENTS; NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS HOFFMAN-LA ROCHE INC. 2001-02-27 US claimed
EP-0941994-A1 Pyrazolopyrimidines and pyrazolotriazines with 5-HT6 receptor affinity F. HOFFMANN-LA ROCHE AG (CH) 1999-09-15 EP claimed
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