SCHEMBL6902859

SCHEMBL6902859

COc1ccc(C(=O)N2CCC3CN(c4nc(C)cc(C)n4)C3C2)c(-n2nccn2)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
SCHEMBL1672486 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1673238 0.86 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL11900738 0.84 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672523 0.84 HCRTR1 (0.86) HCRTR1HCRTR2
SCHEMBL1672269 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672574 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL11901424 0.80 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL11901419 0.80 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL11901437 0.80 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL6901279 0.80 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