SCHEMBL3255448

SCHEMBL3255448

Cc1nc(C(=O)N2[C@H](C(N)=O)C[C@@H]3CCC[C@@H]32)c(-c2ccc(Br)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.49
HCRTR2 O43614 19/20 0.49

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
SCHEMBL13254765 0.92 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL1571979 0.91 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1571977 0.91 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3248866 0.90 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL13254771 0.90 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3245436 0.89 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3247804 0.87 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL3254043 0.87 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL13254780 0.86 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL13254757 0.86 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 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