SCHEMBL2127997

SCHEMBL2127997

NC(=O)[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)c1nc(C2CC2)sc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.51
HCRTR2 O43614 18/20 0.51

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
SCHEMBL2126542 1.00 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2126496 0.90 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL2127819 0.89 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2127165 0.89 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2127162 0.89 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2128172 0.87 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL2128176 0.86 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL2126543 0.85 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2126102 0.84 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL2126863 0.83 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US claimed
EP-2247586-B1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-04-25 EP claimed
EP-2247586-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-10 EP claimed
WO-2009104155-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 WO claimed
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
EP-2247586-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-10 EP disclosed
WO-2009104155-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 WO disclosed