SCHEMBL4537785

SCHEMBL4537785

CCCN1CCN(C2(CNC(=O)c3cn(-c4ncccn4)c4cccc(Cl)c34)CCCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 4/20 0.52
P2RX7 Q99572 5/20 0.51
SLC6A9 P48067 9/20 0.47
IL1B P01584 3/20 0.47
HCN1 O60741 4/20 0.47
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45

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 0.94 HCN4 (0.54) HCN4P2RX7SLC6A9IL1BHCN1
SCHEMBL4537218 0.94 HCN4 (0.54) HCN4P2RX7SLC6A9IL1BHCN1
SCHEMBL13706712 0.92 P2RX7 (0.56) HCN4P2RX7IL1BHCN1ALDH1A1
SCHEMBL3688404 0.92 HCN4 (0.63) HCN4P2RX7SLC6A9IL1BHCN1
SCHEMBL4357339 0.92 HCN4 (0.63) HCN4P2RX7SLC6A9IL1BHCN1
SCHEMBL4351759 0.89 HCN4 (0.60) HCN4P2RX7SLC6A9IL1BHCN1
SCHEMBL4535758 0.89 HCN4 (0.50) HCN4P2RX7SLC6A9HCN1ALDH1A1
SCHEMBL4361081 0.88 HCN4 (0.55) HCN4P2RX7SLC6A9IL1BHCN1
SCHEMBL4350608 0.88 HCN4 (0.55) HCN4P2RX7SLC6A9IL1BHCN1
SCHEMBL13706886 0.87 P2RX7 (0.46) HCN4P2RX7SLC6A9IL1BHCN1

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