SCHEMBL4353725

SCHEMBL4353725

CCN1CCN(C2(CNC(=O)c3cn(-c4ncccn4)c4cccc(F)c34)CCCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 13/20 0.54
HCN1 O60741 11/20 0.54
SLC6A9 P48067 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.42
HCN3 Q9P1Z3 1/20 0.42
HCN2 Q9UL51 1/20 0.42
TP53 P04637 1/20 0.42
P2RX7 Q99572 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 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
SCHEMBL4355970 0.92 HCN1 (0.54) HCN4HCN1SLC6A9ALDH1A1TSHR
SCHEMBL4535037 0.91 HCN4 (0.55) HCN4HCN1ALDH1A1TSHRHCN3
SCHEMBL4537218 0.90 HCN4 (0.54) HCN4HCN1SLC6A9ALDH1A1TSHR
SCHEMBL4530146 0.90 HCN4 (0.54) HCN4HCN1SLC6A9ALDH1A1TSHR
SCHEMBL4350496 0.89 HCN4 (0.55) HCN4HCN1SLC6A9ALDH1A1TSHR
SCHEMBL13706728 0.86 HCN1 (0.42) HCN4HCN1SLC6A9ALDH1A1TSHR
SCHEMBL4359934 0.86 HCN1 (0.42) HCN4HCN1SLC6A9ALDH1A1TSHR
SCHEMBL13706930 0.85 HCN4 (0.51) HCN4HCN1SLC6A9P2RX7
SCHEMBL4358058 0.84 HCN1 (0.42) HCN4HCN1SLC6A9ALDH1A1TSHR
SCHEMBL13706822 0.84 HCN1 (0.42) HCN4HCN1SLC6A9ALDH1A1TSHR

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