SCHEMBL4535357

SCHEMBL4535357

CC(C)N[C@H]1CCCN(C2(CNC(=O)c3cn(-c4ncccn4)c4cccc(Cl)c34)CCCCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 17/20 0.47
IL1B P01584 16/20 0.46
HCN4 Q9Y3Q4 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
SCHEMBL4531278 0.96 P2RX7 (0.48) P2RX7IL1BHCN4
SCHEMBL13706841 0.94 P2RX7 (0.48) P2RX7IL1BHCN4
SCHEMBL13706897 0.93 P2RX7 (0.49) P2RX7IL1BHCN4
SCHEMBL4535057 0.89 P2RX7 (0.50) P2RX7IL1BHCN4
SCHEMBL4536974 0.88 P2RX7 (0.49) P2RX7IL1BHCN4
SCHEMBL4354322 0.88 P2RX7 (0.49) P2RX7IL1BHCN4
SCHEMBL13706835 0.88 P2RX7 (0.47) P2RX7IL1BHCN4
SCHEMBL13706888 0.88 P2RX7 (0.47) P2RX7IL1BHCN4
SCHEMBL13706947 0.88 P2RX7 (0.47) P2RX7IL1BHCN4
SCHEMBL13706816 0.87 P2RX7 (0.51) P2RX7IL1BHCN4

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