SCHEMBL8717486

SCHEMBL8717486

CC(C)n1nc(C(=O)NC2CC3COCC(C2)N3)c2cc(O)ccc21

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 15/20 0.63
▸ HTR3A P46098 5/20 0.54
▸ CYP3A4 P08684 1/20 0.46

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
SCHEMBL8717474 1.00 HTR4 (0.63) HTR4HTR3ACYP3A4
SCHEMBL8714339 0.92 HTR4 (0.63) HTR4HTR3ACYP3A4
SCHEMBL8714343 0.92 HTR4 (0.63) HTR4HTR3ACYP3A4
SCHEMBL8714345 0.91 HTR4 (0.52) HTR4HTR3ACYP3A4
SCHEMBL8714353 0.91 HTR4 (0.52) HTR4HTR3ACYP3A4
SCHEMBL8715748 0.91 HTR4 (0.52) HTR4HTR3ACYP3A4
SCHEMBL8714839 0.87 HTR4 (0.82) HTR4HTR3ACYP3A4
SCHEMBL8714841 0.87 HTR4 (0.82) HTR4HTR3ACYP3A4
SCHEMBL8717118 0.83 HTR3A (0.54) HTR4HTR3A
SCHEMBL8719019 0.83 HTR3A (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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