SCHEMBL6899641

SCHEMBL6899641

Cc1ccc(-c2sc(C)nc2C(=O)N2CCC3CN(c4nc(C)cc(C)n4)C3C2)cc1

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
SCHEMBL11964850 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672974 0.93 HCRTR1 (0.86) HCRTR1HCRTR2
SCHEMBL1671934 0.92 HCRTR1 (0.86) HCRTR1HCRTR2
SCHEMBL6902598 0.78 HCRTR1 (0.89) HCRTR1HCRTR2
SCHEMBL1029853 0.74 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL1672979 0.74 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672635 0.74 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672042 0.73 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672177 0.73 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL1673044 0.73 HCRTR1 (0.81) 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