SCHEMBL7910556

SCHEMBL7910556

O=C(c1ncccc1-c1ncccn1)N1C[C@@H]2C[C@@H]2CC1CNc1ccc(C(F)(F)F)cn1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.57
HCRTR2 O43614 10/20 0.56

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
SCHEMBL3385643 1.00 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL3385234 0.90 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL262353 0.90 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL3387070 0.85 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2471240 0.85 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL7917283 0.85 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL3387124 0.84 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL3386636 0.83 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL2473480 0.83 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL15243487 0.83 HCRTR1 (0.60) 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-2010063663-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