SCHEMBL2446892

SCHEMBL2446892

CC1C[C@H]2CN(C(=O)c3nc(N)sc3-c3ccc(F)cc3)[C@H](C(N)=O)[C@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.40
HCRTR2 O43614 10/20 0.40

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
SCHEMBL2446894 1.00 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL2448706 0.91 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2448704 0.91 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2444515 0.90 KDM4E (0.45) HCRTR1HCRTR2
SCHEMBL2444513 0.90 KDM4E (0.45) HCRTR1HCRTR2
SCHEMBL2445607 0.89 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL2445603 0.89 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL2446896 0.87 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL2440908 0.84 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL2440914 0.84 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