SCHEMBL3414654

SCHEMBL3414654

CCn1nc(C)cc1OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(N)sc1-c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.43
HCRTR2 O43614 15/20 0.43

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
SCHEMBL3411289 0.93 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL1338156 0.88 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3414153 0.86 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3411758 0.86 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3415413 0.85 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3414585 0.85 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL3409480 0.84 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3432083 0.84 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3415284 0.83 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3417980 0.83 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-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP claimed