SCHEMBL6909808

SCHEMBL6909808

Cc1cccc(C(=O)N2C[C@H]3CCN(c4nc(C)c(Cl)c(C)n4)C[C@H]32)c1C1CC=NN1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.41
HCRTR2 O43614 13/20 0.41
PTPN11 Q06124 1/20 0.36
HSD11B1 P28845 2/20 0.33
MGLL Q99685 3/20 0.32
PDE2A O00408 1/20 0.31

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
SCHEMBL6909140 0.93 HCRTR2 (0.42) HCRTR1HCRTR2PTPN11HSD11B1
SCHEMBL6908966 0.92 HCRTR1 (0.44) HCRTR1HCRTR2PTPN11
SCHEMBL6907825 0.92 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL6907794 0.85 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL6908569 0.85 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL1586246 0.77 HCRTR1 (0.49) HCRTR1HCRTR2PTPN11
SCHEMBL6908142 0.77 HCRTR1 (0.44) HCRTR1HCRTR2PTPN11
SCHEMBL6909651 0.74 HCRTR1 (0.44) HCRTR1HCRTR2PTPN11
SCHEMBL1586440 0.73 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL1586097 0.72 HCRTR1 (0.69) 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-2011050202-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO disclosed