SCHEMBL8714417

SCHEMBL8714417

CC(C)n1nc(C(=O)NC2CC3COCC(C2)N3)c2cccc(O)c21

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 8/20 0.60
▸ HTR3A P46098 11/20 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
SCHEMBL8714411 1.00 HTR4 (0.60) HTR4HTR3A
SCHEMBL8720505 0.91 HTR3A (0.54) HTR4HTR3A
SCHEMBL8713850 0.91 HTR3A (0.54) HTR4HTR3A
SCHEMBL8713849 0.91 HTR3A (0.54) HTR4HTR3A
SCHEMBL8720502 0.91 HTR3A (0.54) HTR4HTR3A
SCHEMBL8714839 0.85 HTR4 (0.82) HTR4HTR3A
SCHEMBL8714841 0.85 HTR4 (0.82) HTR4HTR3A
SCHEMBL8717351 0.84 HTR4 (0.60) HTR4HTR3A
SCHEMBL8717346 0.84 HTR4 (0.60) HTR4HTR3A
SCHEMBL8713853 0.82 HTR4 (0.54) 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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