SCHEMBL6907537

SCHEMBL6907537

O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CNCC21

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 19/20 0.52
HCRTR1 O43613 18/20 0.52

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
SCHEMBL1671297 0.85 HCRTR1 (0.66) HCRTR2HCRTR1
SCHEMBL14973839 0.77 HCRTR1 (0.77) HCRTR2HCRTR1
SCHEMBL19151453 0.75 HCRTR2 (0.62) HCRTR2HCRTR1
SCHEMBL15836281 0.71 HCRTR1 (0.49) HCRTR2HCRTR1
SCHEMBL14973724 0.70 HCRTR1 (0.62) HCRTR2HCRTR1
SCHEMBL1586106 0.70 HCRTR1 (0.62) HCRTR2HCRTR1
SCHEMBL3335211 0.70 CHRNB2 (0.68)
SCHEMBL16157512 0.70 HCRTR1 (0.87) HCRTR2HCRTR1
SCHEMBL18696547 0.70 HCRTR1 (0.81) HCRTR2HCRTR1
SCHEMBL17510727 0.70 HCRTR1 (0.87) HCRTR2HCRTR1

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-2011050202-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO disclosed