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SCHEMBL4358152

SCHEMBL4358152

CC(C)N1CCN(C2(CNC(=O)c3cn(-c4ccccn4)c4cccc(Cl)c34)CCCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HCN4 Q9Y3Q4 9/20 0.55
▸ HCN1 O60741 8/20 0.54
▸ P2RX7 Q99572 4/20 0.52
▸ IL1B P01584 3/20 0.45
▸ SLC6A9 P48067 5/20 0.43
▸ MC4R P32245 1/20 0.43

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
SCHEMBL4350608 0.91 HCN4 (0.55) HCN4HCN1P2RX7IL1BSLC6A9
SCHEMBL4361081 0.91 HCN4 (0.55) HCN4HCN1P2RX7IL1BSLC6A9
SCHEMBL4350518 0.91 HCN4 (0.51) HCN4HCN1P2RX7IL1BSLC6A9
SCHEMBL4351955 0.89 HCN4 (0.55) HCN4HCN1P2RX7SLC6A9MC4R
SCHEMBL13706830 0.88 HCN4 (0.52) HCN4HCN1P2RX7IL1BSLC6A9
SCHEMBL4354591 0.88 P2RX7 (0.52) HCN4HCN1P2RX7IL1BSLC6A9
SCHEMBL13706943 0.88 HCN4 (0.50) HCN4HCN1P2RX7IL1BSLC6A9
SCHEMBL13706742 0.87 HCN4 (0.51) HCN4HCN1P2RX7IL1BSLC6A9
SCHEMBL13706884 0.87 HCN4 (0.52) HCN4HCN1P2RX7IL1BSLC6A9
SCHEMBL13706753 0.86 HCN4 (0.51) 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 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