SCHEMBL6994366

SCHEMBL6994366

FC(F)(F)c1ccc2[nH]cc(C3=CCN4CCCC4C3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
SLC6A4 P31645 6/20 0.40
IDO1 P14902 1/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL3129849 0.85 SLC6A4 (0.56) HTR1ADRD2HTR7HTR6SLC6A4
SCHEMBL6994354 0.85 SLC6A4 (0.56) HTR1ADRD2HTR7HTR6SLC6A4
SCHEMBL6994351 0.85 SLC6A4 (0.56) HTR1ADRD2HTR7HTR6SLC6A4
Hydrochloric Acid SCHEMBL8382216 0.84 SLC6A4 (0.58) HTR1ADRD2HTR7HTR6SLC6A4
SCHEMBL6998384 0.84 JAK2 (0.47) HTR1ADRD2HTR7HTR6SLC6A4
SCHEMBL6999439 0.84 SLC6A4 (0.56) SLC6A4
SCHEMBL1122232 0.84 HTR1D (0.43) SLC6A4
SCHEMBL6999444 0.84 SLC6A4 (0.56) SLC6A4
SCHEMBL6996253 0.83 SLC6A4 (0.56) HTR1ADRD2HTR7HTR6SLC6A4
SCHEMBL6996256 0.83 SLC6A4 (0.56) HTR1ADRD2HTR7HTR6SLC6A4

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
US-6562809-B1 Contraction of coronary arteries may be mediated by its stimulation of the 5-HT1B (formerly 5-HT1D beta); compounds selective for a 5-HT1D receptor NPS ALLELIX CORP. (CA) 2003-05-13 US claimed
EP-1114049-B1 3-BICYCLOINDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS NPS ALLELIX CORP (CA) 2003-03-19 EP claimed
EP-1114049-B1 3-BICYCLOINDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS NPS ALLELIX CORP (CA) 2003-03-19 EP disclosed