SCHEMBL6901599

SCHEMBL6901599

Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncccc4-n4ccnn4)C[C@@]32I)n1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.65
HCRTR2 O43614 20/20 0.65

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
SCHEMBL6902297 0.86 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL1672147 0.79 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL13732865 0.67 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671080 0.64 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672116 0.64 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1673245 0.64 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL6924951 0.62 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL18039131 0.61 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL11907857 0.60 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL1672042 0.60 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