SCHEMBL3822072

SCHEMBL3822072

[CH2][C@H]1C[C@@]2(C(N)=O)C[C@@H]2N1C(=O)c1nc(C)sc1-c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.45
HCRTR2 O43614 18/20 0.45
PTGS2 P35354 1/20 0.36

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
SCHEMBL3819198 0.90 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3255444 0.90 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL3820659 0.88 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3817821 0.87 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3823635 0.87 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3828625 0.87 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL3820992 0.86 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL3828272 0.86 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3835207 0.85 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3819678 0.83 HCRTR1 (0.46) 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-2094690-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 EP claimed
WO-2008081399-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-07-10 WO claimed
EP-2094690-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 EP disclosed
WO-2008081399-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-07-10 WO disclosed