SCHEMBL4531474

SCHEMBL4531474

N[C@@H]1CCN(C2(CNC(=O)c3cn(-c4ncc(F)cn4)c4cccc(Cl)c34)CCCCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.47
IL1B P01584 16/20 0.43
HCN4 Q9Y3Q4 1/20 0.42

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
SCHEMBL13706725 0.92 P2RX7 (0.49) P2RX7IL1BHCN4
SCHEMBL4536974 0.88 P2RX7 (0.49) P2RX7IL1BHCN4
SCHEMBL4354322 0.88 P2RX7 (0.49) P2RX7IL1BHCN4
SCHEMBL4523000 0.87 P2RX7 (0.46) P2RX7IL1BHCN4
SCHEMBL4538239 0.87 P2RX7 (0.46) P2RX7IL1BHCN4
SCHEMBL13706846 0.86 HCN4 (0.59) P2RX7IL1BHCN4
SCHEMBL4351646 0.86 P2RX7 (0.49) P2RX7IL1BHCN4
SCHEMBL4362575 0.86 P2RX7 (0.47) P2RX7IL1BHCN4
SCHEMBL4523469 0.86 P2RX7 (0.50) P2RX7IL1BHCN4
SCHEMBL4540407 0.85 P2RX7 (0.47) 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