SCHEMBL8208098

SCHEMBL8208098

COc1ccc(S(=O)(=O)n2cc(C(C)C3CCCN3)c3cc(OC4CCCCC4)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.48
HTR1A P08908 1/20 0.42
CFTR P13569 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 4/20 0.40
PPARD Q03181 4/20 0.40
PPARA Q07869 4/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR2A P28223 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL8208544 0.93 HTR6 (0.44) HTR6HTR1A
SCHEMBL8201465 0.92 HTR6 (0.43) HTR6HTR2A
SCHEMBL8201582 0.87 HTR6 (0.50) HTR6CYP3A4CYP2D6HTR2A
SCHEMBL8201576 0.85 HTR6 (0.63) HTR6
SCHEMBL8209083 0.81 PDE4B (0.38) HTR6PDE4BPDE4D
SCHEMBL8201606 0.80 HTR6 (0.45) HTR6HTR1AHTR2A
SCHEMBL8209777 0.78 HTR6 (0.53) HTR6HTR1AHTR2A
SCHEMBL8209795 0.77 HTR6 (0.49) HTR6CYP3A4CYP2D6
SCHEMBL7472995 0.77 HTR6 (0.48) HTR6CYP3A4CYP2D6
SCHEMBL8208598 0.76 HTR6 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100291-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-08-08 US disclosed