SCHEMBL6995736

SCHEMBL6995736

C1=C(c2ccc3[nH]cc(C4=CCN5CCC[C@H]5C4)c3c2)CCOC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
SLC6A4 P31645 4/20 0.38
GSK3B P49841 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36

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
SCHEMBL6995731 1.00 PIM1 (0.44) PIM1PIM2SLC6A4GSK3BHTR1D
SCHEMBL7001453 0.85 SLC6A4 (0.39) SLC6A4
SCHEMBL7002581 0.85 SLC6A4 (0.39) SLC6A4
SCHEMBL7001456 0.85 SLC6A4 (0.39) SLC6A4
SCHEMBL7001003 0.83 SLC6A4 (0.38) SLC6A4
SCHEMBL7001276 0.82 MAPK11 (0.46) PIM1PIM2SLC6A4GSK3BHTR1D
SCHEMBL7001275 0.82 MAPK11 (0.46) PIM1PIM2SLC6A4GSK3BHTR1D
SCHEMBL7007803 0.80 SLC6A4 (0.59) SLC6A4
SCHEMBL7007800 0.80 SLC6A4 (0.59) SLC6A4
SCHEMBL6999439 0.79 SLC6A4 (0.56) SLC6A4HTR1DHTR1B

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 4 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
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 disclosed
EP-1114049-B1 3-BICYCLOINDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS NPS ALLELIX CORP (CA) 2003-03-19 EP disclosed