SCHEMBL8720502

SCHEMBL8720502

CCC(C)n1nc(C(=O)N[C@H]2C[C@H]3COC[C@@H](C2)N3)c2cccc(O)c21

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 17/20 0.54
▸ HTR4 Q13639 3/20 0.52

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
SCHEMBL8720505 1.00 HTR3A (0.54) HTR3AHTR4
SCHEMBL8713849 1.00 HTR3A (0.54) HTR3AHTR4
SCHEMBL8713850 1.00 HTR3A (0.54) HTR3AHTR4
SCHEMBL8714411 0.91 HTR4 (0.60) HTR3AHTR4
SCHEMBL8714417 0.91 HTR4 (0.60) HTR3AHTR4
SCHEMBL8713379 0.86 HTR4 (0.67) HTR3AHTR4
SCHEMBL8714407 0.86 HTR4 (0.67) HTR3AHTR4
SCHEMBL8714409 0.86 HTR4 (0.67) HTR3AHTR4
SCHEMBL8713385 0.86 HTR4 (0.67) HTR3AHTR4
SCHEMBL8713436 0.85 HTR3A (0.51) 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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