SCHEMBL8717346

SCHEMBL8717346

CC(C)n1nc(C(=O)N[C@H]2C[C@H]3COC[C@@H](C2)N3)c2c(O)cccc21

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 10/20 0.60
▸ HTR3A P46098 10/20 0.54
▸ CYP3A4 P08684 1/20 0.44

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
SCHEMBL8717351 1.00 HTR4 (0.60) HTR4HTR3ACYP3A4
SCHEMBL8713436 0.91 HTR3A (0.51) HTR4HTR3ACYP3A4
SCHEMBL8717229 0.91 HTR3A (0.51) HTR4HTR3ACYP3A4
SCHEMBL8713439 0.91 HTR3A (0.51) HTR4HTR3ACYP3A4
SCHEMBL8717225 0.91 HTR3A (0.51) HTR4HTR3ACYP3A4
SCHEMBL8714841 0.85 HTR4 (0.82) HTR4HTR3ACYP3A4
SCHEMBL8714839 0.85 HTR4 (0.82) HTR4HTR3ACYP3A4
SCHEMBL8714417 0.84 HTR4 (0.60) HTR4HTR3A
SCHEMBL8714411 0.84 HTR4 (0.60) HTR4HTR3A
SCHEMBL9079955 0.82 HTR4 (0.54) HTR4HTR3ACYP3A4

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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