SCHEMBL14565733

SCHEMBL14565733

CCCC1CCN([S+]([O-])CCCN2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 20/20 0.73

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
SCHEMBL17193155 0.85 HTR4 (1.00) HTR4
Hydrochloric Acid SCHEMBL2942576 0.84 HTR4 (0.98) HTR4
SCHEMBL7954351 0.83 HTR4 (1.00) HTR4
SCHEMBL13479954 0.79 HTR4 (0.80) HTR4
SCHEMBL13036124 0.78 HTR4 (0.78) HTR4
SCHEMBL7944045 0.78 HTR4 (1.00) HTR4
SCHEMBL7943943 0.77 HTR4 (1.00) HTR4
SCHEMBL7952854 0.75 HTR4 (1.00) HTR4
SCHEMBL13036125 0.75 HTR4 (0.73) HTR4
SCHEMBL7952197 0.75 HTR4 (1.00) HTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112270-B1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed