SCHEMBL7394362

SCHEMBL7394362

CCCCN1CCC(COC(=O)c2c3n(c4ccccc24)C(=O)CCO3)CC1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 7/20 0.52
KCNH2 Q12809 3/20 0.51

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
SCHEMBL7976894 0.84 HTR4 (0.73) HTR4
Hydrochloric Acid SCHEMBL9540261 0.77 HTR3A (0.49) HTR4
SCHEMBL9341467 0.73 HTR4 (0.71) HTR4
SCHEMBL7405403 0.73 HTR4 (0.53) HTR4
SCHEMBL7400348 0.73 HTR4 (0.45) HTR4
SCHEMBL6946846 0.73 HTR4 (0.52) HTR4
SCHEMBL9342314 0.72 HTR4 (0.58) HTR4
SCHEMBL9340440 0.72 ALOX15 (0.53) HTR4
Hydrochloric Acid SCHEMBL9344902 0.70 MEN1 (0.53) HTR4
SCHEMBL5806105 0.69 HTR4 (0.73) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0662959-A1 5-HT4 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-07-19 EP claimed
WO-1994007859-A1 5-HT4 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-14 WO claimed
US-5696129-A TREATING GASTROINTESTINAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 1997-12-09 US disclosed
EP-0662959-A1 5-HT4 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-07-19 EP disclosed
WO-1994007859-A1 5-HT4 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-14 WO disclosed