SCHEMBL6902297

SCHEMBL6902297

Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncccc4-n4nccn4)C[C@@]32I)n1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.63
HCRTR2 O43614 20/20 0.63
KCNH2 Q12809 1/20 0.42

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
SCHEMBL6901599 0.86 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL1673245 0.77 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672116 0.77 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL6924951 0.75 HCRTR1 (1.00) HCRTR1HCRTR2KCNH2
SCHEMBL11907843 0.71 HCRTR1 (0.64) HCRTR1HCRTR2KCNH2
SCHEMBL6924831 0.66 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL1671090 0.65 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL1673054 0.64 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL1671684 0.64 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL13736475 0.64 HCRTR1 (1.00) HCRTR1HCRTR2KCNH2

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