SCHEMBL2448749

SCHEMBL2448749

Cc1nc(C(=O)N2CC3CCC[C@@H]3C2CNC(=O)c2c(C)nc3sccn23)c(-c2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.60
HCRTR2 O43614 10/20 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
SCHEMBL496399 1.00 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL496404 0.93 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL496674 0.93 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL496163 0.92 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL496173 0.91 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL496057 0.91 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL496415 0.90 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL497298 0.90 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL2447713 0.90 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL496739 0.90 HCRTR1 (0.54) 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