SCHEMBL2143379

SCHEMBL2143379

CN(C)c1nc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2CNC(=O)Oc2nc3ccccc3n2C)c(-c2ccccc2)s1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.43
HCRTR2 O43614 18/20 0.38

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
SCHEMBL2126094 0.93 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL982579 0.88 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2142780 0.85 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL2126430 0.82 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL981979 0.81 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL981982 0.81 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL983901 0.81 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL983527 0.80 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2127244 0.80 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL2128029 0.80 HCRTR1 (0.46) 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 claimed