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SCHEMBL4532044

SCHEMBL4532044

C[C@@H]1CN(C2(CNC(=O)c3cn(-c4nccnc4N)c4cccc(Cl)c34)CCCCC2)CCN1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 11/20 0.46
▸ HCN4 Q9Y3Q4 2/20 0.42
▸ IL1B P01584 11/20 0.42
▸ SLC6A9 P48067 6/20 0.40
▸ HCN1 O60741 1/20 0.39
▸ HCN3 Q9P1Z3 1/20 0.39
▸ HCN2 Q9UL51 1/20 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
SCHEMBL13706851 0.91 P2RX7 (0.45) P2RX7HCN4IL1BSLC6A9HCN1
SCHEMBL13706848 0.91 P2RX7 (0.45) P2RX7HCN4IL1BSLC6A9HCN1
SCHEMBL4351906 0.90 P2RX7 (0.49) P2RX7HCN4IL1BSLC6A9HCN1
SCHEMBL13706815 0.89 P2RX7 (0.48) P2RX7HCN4IL1BHCN1HCN3
SCHEMBL13706899 0.89 P2RX7 (0.48) P2RX7HCN4IL1BHCN1HCN3
SCHEMBL4364179 0.89 P2RX7 (0.48) P2RX7HCN4IL1BHCN1HCN3
SCHEMBL4535129 0.89 P2RX7 (0.45) P2RX7HCN4IL1BHCN1HCN3
SCHEMBL4540407 0.87 P2RX7 (0.47) P2RX7HCN4IL1BSLC6A9
SCHEMBL13706938 0.87 P2RX7 (0.44) P2RX7HCN4IL1BHCN1HCN3
SCHEMBL4541117 0.87 P2RX7 (0.44) P2RX7HCN4IL1BHCN1HCN3

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