SCHEMBL2128345

SCHEMBL2128345

Cc1nc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2CNC(=O)c2csc(Br)n2)c(-c2cccc(Cl)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.52
HCRTR2 O43614 19/20 0.45

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
SCHEMBL2125943 0.93 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL2127894 0.86 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL985024 0.85 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL985023 0.85 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2126399 0.83 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL982893 0.83 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL2127649 0.83 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL982009 0.83 HCRTR1 (0.77) HCRTR1HCRTR2
SCHEMBL2127411 0.82 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL984258 0.82 HCRTR1 (0.48) 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-2247586-B1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-04-25 EP disclosed