SCHEMBL3637580

SCHEMBL3637580

O=C(NC[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)O)c1cccc2c1OCCO2

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 17/20 0.51
HCRTR1 O43613 2/20 0.48
CNR1 P21554 1/20 0.44
CNR2 P34972 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
SCHEMBL496121 0.86 HTR4 (0.48) HTR4HCRTR1
SCHEMBL2441649 0.86 HTR4 (0.48) HTR4HCRTR1
SCHEMBL496159 0.77 HTR4 (0.50) HTR4CNR1CNR2
SCHEMBL2927633 0.77 HTR4 (0.47) HTR4
SCHEMBL2927632 0.77 HTR4 (0.47) HTR4
SCHEMBL2477357 0.77 HCRTR1 (0.64) HCRTR1
SCHEMBL496546 0.77 HCRTR1 (0.64) HCRTR1
SCHEMBL13538941 0.76 HTR4 (0.45) HTR4HCRTR1
SCHEMBL27873054 0.75 HTR4 (0.50) HTR4CNR1CNR2
SCHEMBL27791769 0.75 HTR4 (0.50) HTR4CNR1CNR2

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-2164847-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-03-24 EP disclosed
WO-2009004584-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-01-08 WO disclosed