SCHEMBL1672472

SCHEMBL1672472

Cc1cnn(-c2ccccc2C(=O)N2CC3CNC3C2)n1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.49
HCRTR2 O43614 20/20 0.49

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
SCHEMBL6901212 0.84 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL6900585 0.73 HCRTR2 (0.65) HCRTR1HCRTR2
SCHEMBL6901250 0.72 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1671929 0.72 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL17256244 0.71 MYC (0.51) HCRTR1HCRTR2
SCHEMBL29713617 0.70 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL6923867 0.70 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL1672440 0.70 TSHR (0.55) HCRTR1HCRTR2
SCHEMBL3335455 0.69 CHRNA4 (0.63) HCRTR1HCRTR2
SCHEMBL28339833 0.69 KDM4E (0.40) 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-2491034-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-08-29 EP disclosed
WO-2011050200-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO disclosed