SCHEMBL2444527

SCHEMBL2444527

Cc1nc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2CNC(=O)Oc2c(C)nc3sccn23)c(-c2ccccc2)s1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.57
HCRTR2 O43614 12/20 0.49

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
SCHEMBL2449460 0.94 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2442099 0.94 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL2446979 0.93 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL2445354 0.93 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2445587 0.93 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2440204 0.92 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2446189 0.92 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2447482 0.92 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2444021 0.92 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2442921 0.91 HCRTR1 (0.49) 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