SCHEMBL7001003

SCHEMBL7001003

C1=C(c2ccc3[nH]cc(C4=CCN5CCC[C@@H]5C4)c3c2)CCSC1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.38
HTR6 P50406 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
SCHEMBL7001456 0.85 SLC6A4 (0.39) SLC6A4
SCHEMBL7001453 0.85 SLC6A4 (0.39) SLC6A4
SCHEMBL7002581 0.85 SLC6A4 (0.39) SLC6A4
SCHEMBL6995731 0.83 PIM1 (0.44) SLC6A4
SCHEMBL6995736 0.83 PIM1 (0.44) SLC6A4
SCHEMBL7002948 0.82 MAPK11 (0.46) SLC6A4
SCHEMBL7001758 0.80 HTR1D (0.48)
SCHEMBL7007800 0.80 SLC6A4 (0.59) SLC6A4
SCHEMBL7001760 0.80 HTR1D (0.48)
SCHEMBL7007803 0.80 SLC6A4 (0.59) SLC6A4

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