SCHEMBL7002948

SCHEMBL7002948

C1=C(c2ccc3[nH]cc(C4=C[C@H]5CCCN5CC4)c3c2)CCSC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
SLC6A4 P31645 8/20 0.36
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35

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
SCHEMBL7001878 0.85 MAPK11 (0.48) MAPK11MAPK14SLC6A4HTR1DHTR1B
SCHEMBL7001876 0.85 MAPK11 (0.48) MAPK11MAPK14SLC6A4HTR1DHTR1B
SCHEMBL7001275 0.82 MAPK11 (0.46) MAPK11MAPK14SLC6A4HTR1DHTR1B
SCHEMBL7001276 0.82 MAPK11 (0.46) MAPK11MAPK14SLC6A4HTR1DHTR1B
SCHEMBL7001003 0.82 SLC6A4 (0.38) SLC6A4
SCHEMBL7007905 0.79 SLC6A4 (0.59) SLC6A4
SCHEMBL7007906 0.79 SLC6A4 (0.59) SLC6A4
SCHEMBL7855936 0.72 MAPK11 (0.41) MAPK11MAPK14SLC6A4
SCHEMBL7567570 0.71 MAPK11 (0.55) MAPK11MAPK14SLC6A4
SCHEMBL7006008 0.70 HTR1D (0.62) HTR1DHTR1B

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