SCHEMBL4537218

SCHEMBL4537218

CCN1CCN(C2(CNC(=O)c3cn(-c4ncccn4)c4cccc(Cl)c34)CCCCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 4/20 0.54
HCN1 O60741 4/20 0.54
P2RX7 Q99572 6/20 0.53
SLC6A9 P48067 8/20 0.47
IL1B P01584 5/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL4530146 1.00 HCN4 (0.54) HCN4HCN1P2RX7SLC6A9IL1B
SCHEMBL4537785 0.94 HCN4 (0.52) HCN4HCN1P2RX7SLC6A9IL1B
SCHEMBL13706930 0.92 HCN4 (0.51) HCN4HCN1P2RX7SLC6A9IL1B
SCHEMBL3688404 0.92 HCN4 (0.63) HCN4HCN1P2RX7SLC6A9IL1B
SCHEMBL4357339 0.92 HCN4 (0.63) HCN4HCN1P2RX7SLC6A9IL1B
SCHEMBL4535037 0.91 HCN4 (0.55) HCN4HCN1P2RX7ALDH1A1TSHR
SCHEMBL13706712 0.90 P2RX7 (0.56) HCN4HCN1P2RX7IL1BALDH1A1
SCHEMBL13706747 0.90 HCN4 (0.51) HCN4HCN1P2RX7SLC6A9IL1B
SCHEMBL13706939 0.90 HCN4 (0.50) HCN4HCN1P2RX7SLC6A9IL1B
SCHEMBL4353725 0.90 HCN4 (0.54) HCN4HCN1P2RX7SLC6A9ALDH1A1

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