SCHEMBL8717225

SCHEMBL8717225

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

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 15/20 0.51
▸ HTR4 Q13639 5/20 0.49
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL8717229 1.00 HTR3A (0.51) HTR3AHTR4CYP3A4
SCHEMBL8713439 1.00 HTR3A (0.51) HTR3AHTR4CYP3A4
SCHEMBL8713436 1.00 HTR3A (0.51) HTR3AHTR4CYP3A4
SCHEMBL8717346 0.91 HTR4 (0.60) HTR3AHTR4CYP3A4
SCHEMBL8717351 0.91 HTR4 (0.60) HTR3AHTR4CYP3A4
SCHEMBL8713379 0.86 HTR4 (0.67) HTR3AHTR4CYP3A4
SCHEMBL8713385 0.86 HTR4 (0.67) HTR3AHTR4CYP3A4
SCHEMBL8714407 0.86 HTR4 (0.67) HTR3AHTR4CYP3A4
SCHEMBL8714409 0.86 HTR4 (0.67) HTR3AHTR4CYP3A4
SCHEMBL8713850 0.85 HTR3A (0.54) 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 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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