SCHEMBL8714727

SCHEMBL8714727

CCCCN1C2COCC1CC(NC(=O)c1nn(C(C)CCC)c3ccccc13)C2

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 11/20 0.61
▸ HTR3A P46098 4/20 0.55

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
SCHEMBL8714713 0.94 HTR4 (0.62) HTR4HTR3A
SCHEMBL8714715 0.94 HTR4 (0.62) HTR4HTR3A
SCHEMBL8713864 0.94 HTR4 (0.62) HTR4HTR3A
SCHEMBL8717789 0.94 HTR4 (0.62) HTR4HTR3A
SCHEMBL8717880 0.94 HTR4 (0.62) HTR4HTR3A
SCHEMBL8717786 0.94 HTR4 (0.62) HTR4HTR3A
SCHEMBL8715201 0.92 HTR4 (0.71) HTR4HTR3A
SCHEMBL8714157 0.92 HTR4 (0.71) HTR4HTR3A
SCHEMBL8714748 0.89 HTR4 (0.60) HTR4HTR3A
SCHEMBL8713446 0.89 HTR4 (0.73) HTR4HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708105-B1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO (JP) 1998-12-23 — — EP disclosed
EP-0708105-A1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-04-24 — — EP disclosed
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