SCHEMBL7912880

SCHEMBL7912880

CC1CN[C@H](CNc2cnc(C(F)(F)F)cn2)C[C@@H]1C

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.39
HCRTR2 O43614 10/20 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
SCHEMBL262092 0.84 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL262093 0.84 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL10068494 0.81 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL19256191 0.73 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL19256194 0.73 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL19256193 0.73 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL15229747 0.72 HCRTR1 (0.38) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL31372680 0.72 HCRTR1 (0.35) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL31372558 0.72 HCRTR1 (0.35) HCRTR1HCRTR2
Bromide SCHEMBL19207060 0.72 HCRTR1 (0.43) 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
WO-2010063662-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0] HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed