SCHEMBL2124998

SCHEMBL2124998

CCn1nc(C)cc1C(=O)NC[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1nc(N)sc1-c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.44
HCRTR2 O43614 18/20 0.39

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
SCHEMBL1571763 0.86 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL1338156 0.85 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2127649 0.84 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL984531 0.83 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL984532 0.83 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL2127537 0.82 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL2127411 0.81 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL981549 0.81 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL2126629 0.80 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL984110 0.80 HCRTR1 (0.41) 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