SCHEMBL2441649

SCHEMBL2441649

CC(C)(C)OC(=O)N1CC2CCC[C@@H]2C1CNC(=O)c1cccc2c1OCCO2

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 18/20 0.48
HCRTR1 O43613 2/20 0.42

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 1.00 HTR4 (0.48) HTR4HCRTR1
SCHEMBL2927632 0.92 HTR4 (0.47) HTR4
SCHEMBL2927633 0.92 HTR4 (0.47) HTR4
SCHEMBL496719 0.89 HTR4 (0.44) HTR4
SCHEMBL3637580 0.86 HTR4 (0.51) HTR4HCRTR1
SCHEMBL982052 0.80 HTR4 (0.48) HTR4
SCHEMBL1340259 0.80 MTNR1B (0.39) HTR4HCRTR1
SCHEMBL5214369 0.79 HTR4 (0.64) HTR4
SCHEMBL1571823 0.76 HTR4 (0.47) HTR4
SCHEMBL3677156 0.76 HCRTR1 (0.40) HTR4HCRTR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164847-B1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-14 EP disclosed