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SCHEMBL4364179

SCHEMBL4364179

C[C@@H]1CN(C2(CNC(=O)c3cn(-c4ncccn4)c4cccc(Cl)c34)CCCCC2)CCN1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 13/20 0.48
▸ HCN4 Q9Y3Q4 2/20 0.45
▸ IL1B P01584 15/20 0.44
▸ HCN1 O60741 1/20 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

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
SCHEMBL13706899 1.00 P2RX7 (0.48) P2RX7HCN4IL1BHCN1HCN3
SCHEMBL13706815 1.00 P2RX7 (0.48) P2RX7HCN4IL1BHCN1HCN3
SCHEMBL4531164 0.93 P2RX7 (0.46) P2RX7HCN4IL1BHCN1HCN3
SCHEMBL4538239 0.93 P2RX7 (0.46) P2RX7HCN4IL1BHCN1HCN3
SCHEMBL4523000 0.93 P2RX7 (0.46) P2RX7HCN4IL1BHCN1HCN3
SCHEMBL4534082 0.92 P2RX7 (0.45) P2RX7HCN4IL1BHCN1HCN3
SCHEMBL13706887 0.92 P2RX7 (0.48) P2RX7HCN4IL1BHCN1HCN3
SCHEMBL4354507 0.92 P2RX7 (0.48) P2RX7HCN4IL1BHCN1HCN3
SCHEMBL4356281 0.92 P2RX7 (0.48) P2RX7HCN4IL1BHCN1HCN3
SCHEMBL13706601 0.91 HCN1 (0.44) P2RX7HCN4HCN1HCN3HCN2

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