SCHEMBL13706830

SCHEMBL13706830

CC(C)N1CCN(C2(CNC(=O)c3cn(-c4cccnc4Cl)c4cccc(Cl)c34)CCCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 6/20 0.52
HCN1 O60741 4/20 0.51
P2RX7 Q99572 6/20 0.49
IL1B P01584 5/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
SLC6A9 P48067 7/20 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
SCHEMBL13706933 0.91 HCN4 (0.59) HCN4HCN1P2RX7IL1BALDH1A1
SCHEMBL4361081 0.91 HCN4 (0.55) HCN4HCN1P2RX7IL1BALDH1A1
SCHEMBL4350608 0.91 HCN4 (0.55) HCN4HCN1P2RX7IL1BALDH1A1
SCHEMBL13706944 0.90 HCN4 (0.49) HCN4HCN1P2RX7IL1BALDH1A1
SCHEMBL13706747 0.90 HCN4 (0.51) HCN4HCN1P2RX7IL1BALDH1A1
SCHEMBL4358152 0.88 HCN4 (0.55) HCN4HCN1P2RX7IL1BSLC6A9
SCHEMBL13706742 0.88 HCN4 (0.51) HCN4HCN1P2RX7IL1BALDH1A1
SCHEMBL13706884 0.86 HCN4 (0.52) HCN4HCN1P2RX7IL1BSLC6A9
SCHEMBL13706926 0.86 HCN4 (0.49) HCN4HCN1P2RX7IL1BALDH1A1
SCHEMBL13706885 0.85 HCN4 (0.53) HCN4HCN1P2RX7IL1BSLC6A9

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-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed