SCHEMBL3248846

SCHEMBL3248846

[CH2][C@H]1C[C@@]2(C(N)=O)CCC[C@@H]2N1C(=O)c1nc(C)sc1-c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.47
HCRTR2 O43614 20/20 0.47

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
SCHEMBL3824580 0.91 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3252466 0.90 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3245432 0.87 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL3247800 0.87 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL3250316 0.87 HRH3 (0.37) HCRTR1HCRTR2
SCHEMBL3254040 0.85 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3248862 0.84 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3255444 0.84 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL3252612 0.83 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL3835207 0.82 HCRTR1 (0.45) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183246-A2 2-AZA-BICYCLO-[3.3.0]-OCTANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-05-12 EP claimed
WO-2009016564-A2 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 WO claimed
EP-2183246-A2 2-AZA-BICYCLO-[3.3.0]-OCTANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-05-12 EP disclosed
WO-2009016564-A2 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 WO disclosed