SCHEMBL2444529

SCHEMBL2444529

Cc1nc(C(=O)N2C[C@@H]3CC(C)C[C@@H]3[C@H]2C(N)=O)c(-c2ccccc2)s1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.46
HCRTR2 O43614 18/20 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
SCHEMBL2444531 1.00 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3413154 0.94 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2445351 0.92 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL2445350 0.92 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL2442725 0.91 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2442899 0.91 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2442726 0.91 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2448706 0.90 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2448704 0.90 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2444515 0.90 KDM4E (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 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