SCHEMBL6901264

SCHEMBL6901264

CN(C)c1nc(N2CC3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)cc(C(F)(F)F)n1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.83
HCRTR2 O43614 20/20 0.83

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
SCHEMBL11900419 1.00 HCRTR1 (0.83) HCRTR1HCRTR2
SCHEMBL11900416 1.00 HCRTR1 (0.83) HCRTR1HCRTR2
SCHEMBL11900525 0.91 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL11900777 0.91 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL11900520 0.91 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL11900778 0.91 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL11900438 0.89 HCRTR1 (0.81) HCRTR1HCRTR2
SCHEMBL11900435 0.89 HCRTR1 (0.81) HCRTR1HCRTR2
SCHEMBL11900820 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL11900817 0.88 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011050200-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO disclosed