SCHEMBL2445690

SCHEMBL2445690

Cc1nc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2CN)c(-c2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.60
HCRTR2 O43614 14/20 0.60

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
SCHEMBL3418134 0.91 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2925015 0.91 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2447342 0.90 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL2445360 0.89 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL2444545 0.89 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL2444609 0.88 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2445689 0.87 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL2445688 0.87 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL2445656 0.87 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL2446850 0.87 HCRTR1 (0.62) 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