SCHEMBL2450798

SCHEMBL2450798

Cc1ccc(-c2sc(C)nc2C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2CN)cc1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.59
HCRTR2 O43614 10/20 0.59

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
SCHEMBL2442947 0.93 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL15176039 0.93 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL15184300 0.93 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL2445859 0.92 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL2446850 0.92 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL2448029 0.92 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL2445384 0.91 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL15175072 0.90 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL2447342 0.90 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL2445171 0.90 HCRTR1 (0.55) 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