SCHEMBL9078147

SCHEMBL9078147

CCCCN1C2COCC1CC(NC(=O)c1nn([C@@H](C)CC)c3cccc(O)c13)C2

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 7/20 0.52
▸ HTR4 Q13639 11/20 0.47

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
SCHEMBL8714873 1.00 HTR3A (0.52) HTR3AHTR4
SCHEMBL8714876 1.00 HTR3A (0.52) HTR3AHTR4
SCHEMBL9078145 1.00 HTR3A (0.52) HTR3AHTR4
SCHEMBL9079954 0.93 HTR4 (0.54) HTR3AHTR4
SCHEMBL9079955 0.93 HTR4 (0.54) HTR3AHTR4
SCHEMBL8713864 0.87 HTR4 (0.62) HTR3AHTR4
SCHEMBL8717880 0.87 HTR4 (0.62) HTR3AHTR4
SCHEMBL8717786 0.87 HTR4 (0.62) HTR3AHTR4
SCHEMBL8714715 0.87 HTR4 (0.62) HTR3AHTR4
SCHEMBL8717789 0.87 HTR4 (0.62) HTR3AHTR4

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