SCHEMBL2440917

SCHEMBL2440917

Cc1cccc(-c2sc(N)nc2C(=O)N2C[C@@H]3CC(C)C[C@@H]3[C@H]2CN)c1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.48
HCRTR2 O43614 18/20 0.48

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
SCHEMBL2932308 0.95 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3460152 0.95 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3413690 0.95 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2442133 0.92 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL496374 0.92 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2445609 0.90 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL2444518 0.90 KDM4E (0.44) HCRTR1HCRTR2
SCHEMBL2440908 0.87 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL2442512 0.87 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2440914 0.87 HCRTR1 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164847-B1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-14 EP claimed