SCHEMBL8717118

SCHEMBL8717118

CCC(C)n1nc(C(=O)NC2CC3COCC(C2)N3)c2ccc(O)cc21

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 13/20 0.54
▸ HTR4 Q13639 7/20 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
SCHEMBL8717114 1.00 HTR3A (0.54) HTR3AHTR4
SCHEMBL8719023 1.00 HTR3A (0.54) HTR3AHTR4
SCHEMBL8719019 1.00 HTR3A (0.54) HTR3AHTR4
SCHEMBL8715748 0.93 HTR4 (0.52) HTR3AHTR4
SCHEMBL8714353 0.93 HTR4 (0.52) HTR3AHTR4
SCHEMBL8714345 0.93 HTR4 (0.52) HTR3AHTR4
SCHEMBL8714339 0.91 HTR4 (0.63) HTR3AHTR4
SCHEMBL8714343 0.91 HTR4 (0.63) HTR3AHTR4
SCHEMBL8713379 0.88 HTR4 (0.67) HTR3AHTR4
SCHEMBL8713385 0.88 HTR4 (0.67) 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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