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SCHEMBL4358189

SCHEMBL4358189

CC1(C)CN(C2(CNC(=O)c3cn(-c4ncccn4)c4cccc(Cl)c34)CCCCC2)CCN1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 11/20 0.47
▸ HCN4 Q9Y3Q4 3/20 0.45
▸ IL1B P01584 9/20 0.44
▸ HCN1 O60741 2/20 0.42
▸ HCN3 Q9P1Z3 1/20 0.42
▸ HCN2 Q9UL51 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SLC6A9 P48067 5/20 0.39

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
SCHEMBL13706789 0.89 HCN4 (0.43) P2RX7HCN4IL1BHCN1HCN3
SCHEMBL4358768 0.89 P2RX7 (0.52) P2RX7HCN4IL1BHCN1HCN3
SCHEMBL13706770 0.88 P2RX7 (0.42) P2RX7HCN4IL1BHCN1HCN3
SCHEMBL13706899 0.86 P2RX7 (0.48) P2RX7HCN4IL1BHCN1HCN3
SCHEMBL13706815 0.86 P2RX7 (0.48) P2RX7HCN4IL1BHCN1HCN3
SCHEMBL4364179 0.86 P2RX7 (0.48) P2RX7HCN4IL1BHCN1HCN3
SCHEMBL4357339 0.85 HCN4 (0.63) P2RX7HCN4IL1BHCN1ALDH1A1
SCHEMBL3688404 0.85 HCN4 (0.63) P2RX7HCN4IL1BHCN1ALDH1A1
SCHEMBL4530146 0.84 HCN4 (0.54) P2RX7HCN4IL1BHCN1ALDH1A1
SCHEMBL4537218 0.84 HCN4 (0.54) P2RX7HCN4IL1BHCN1ALDH1A1

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