SCHEMBL3250335

SCHEMBL3250335

CC(=O)Nc1cccc(-c2sc(C)nc2C(=O)N2[C@H](CN)C[C@@H]3CCC[C@@H]32)c1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.46
HCRTR2 O43614 20/20 0.46

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
SCHEMBL1572649 0.92 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL13254752 0.88 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL3250331 0.87 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL3252472 0.86 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3248852 0.86 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL13254772 0.86 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL13254760 0.84 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3247805 0.83 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL13254781 0.82 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL13254768 0.82 HCRTR1 (0.49) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288429-B2 2-aza-bicyclo[3.3.0]octane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US claimed
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
US-8288429-B2 2-aza-bicyclo[3.3.0]octane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
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