SCHEMBL6907600

SCHEMBL6907600

O=C(c1ccccc1-c1cccs1)N1CC2CNCC21

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.48
HCRTR2 O43614 20/20 0.48

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
SCHEMBL1586133 0.91 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL14983126 0.91 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL1670991 0.84 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL1586818 0.81 TSHR (0.48) HCRTR1HCRTR2
SCHEMBL3409706 0.74 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL1672821 0.74 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL3409710 0.74 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL1586911 0.73 HCRTR1 (0.77) HCRTR1HCRTR2
SCHEMBL1586284 0.72 CHRNB2 (0.46) HCRTR1HCRTR2
SCHEMBL14973635 0.72 CHRNB2 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491031-B1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-08-07 EP disclosed
WO-2011050202-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO disclosed