SCHEMBL8713853

SCHEMBL8713853

CCCCN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1nn(C(C)C)c3c(O)cccc13)C2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 14/20 0.54
▸ HTR3A P46098 5/20 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
SCHEMBL8713858 1.00 HTR4 (0.54) HTR4HTR3ACYP3A4
SCHEMBL8713981 0.93 HTR3A (0.52) HTR4HTR3A
SCHEMBL8713979 0.93 HTR3A (0.52) HTR4HTR3A
SCHEMBL8716596 0.93 HTR3A (0.52) HTR4HTR3A
SCHEMBL8716600 0.93 HTR3A (0.52) HTR4HTR3A
SCHEMBL8714157 0.86 HTR4 (0.71) HTR4HTR3ACYP3A4
SCHEMBL8715201 0.86 HTR4 (0.71) HTR4HTR3ACYP3A4
SCHEMBL9079955 0.86 HTR4 (0.54) HTR4HTR3ACYP3A4
SCHEMBL9079954 0.86 HTR4 (0.54) HTR4HTR3ACYP3A4
SCHEMBL8716725 0.85 HTR3A (0.60) 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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