SCHEMBL14503570

SCHEMBL14503570

O=S(=O)(NCCCN1CCc2ccccc2C1)c1cc(F)c(Br)cc1F

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 11/20 0.62
HTR6 P50406 2/20 0.51
MAPT P10636 1/20 0.46
TP53 P04637 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NCOR2 Q9Y618 1/20 0.44

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
Hydrochloric Acid SCHEMBL2138969 0.99 HTR7 (0.61) HTR7HTR6MAPT
SCHEMBL8980463 0.97 HTR7 (0.63) HTR7HTR6HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL4228093 0.96 HTR7 (0.62) HTR7HTR6HDAC3HDAC1HDAC2
SCHEMBL8981052 0.96 HTR7 (0.62) HTR7HTR6HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL4228924 0.95 HTR7 (0.61) HTR7HTR6HDAC3HDAC1HDAC2
SCHEMBL8980721 0.93 HTR7 (0.63) HTR7HTR6HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL4228305 0.92 HTR7 (0.62) HTR7HTR6HDAC3HDAC1HDAC2
SCHEMBL10035532 0.91 HTR7 (0.59) HTR7HTR6MAPTTP53
SCHEMBL8981627 0.88 HTR7 (0.68) HTR7HTR6
Hydrochloric Acid SCHEMBL4218317 0.87 HTR7 (0.67) HTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211584-B2 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed
US-7211584-B2 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed