SCHEMBL1673231

SCHEMBL1673231

Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-c4ccccc4F)CC32)n1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.81
HCRTR2 O43614 20/20 0.81

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
SCHEMBL11900974 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1673229 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL6900781 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672656 0.88 HCRTR2 (0.82) HCRTR1HCRTR2
SCHEMBL11900422 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL11900425 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL6902598 0.88 HCRTR1 (0.89) HCRTR1HCRTR2
SCHEMBL1672497 0.87 HCRTR1 (0.73) HCRTR1HCRTR2
SCHEMBL11900494 0.85 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL6899469 0.85 HCRTR1 (1.00) 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