SCHEMBL1672987

SCHEMBL1672987

Cc1cc(C)nc(N2CC3CCN(C(=O)c4cccc(C)c4-n4cccn4)CC32)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 1.00
HCRTR2 O43614 20/20 1.00

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
SCHEMBL1672675 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672132 0.92 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672129 0.92 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671912 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1673264 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672346 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672344 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1586975 0.83 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL6901454 0.81 HCRTR1 (0.84) HCRTR1HCRTR2
SCHEMBL11964838 0.79 HCRTR1 (0.77) 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