SCHEMBL4526436

SCHEMBL4526436

N[C@@H]1CCN(C2(CNC(=O)c3cn(-c4nccs4)c4cccc(Cl)c34)CCCCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.47
HCN4 Q9Y3Q4 1/20 0.43
IL1B P01584 16/20 0.42
SLC6A9 P48067 1/20 0.38

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
SCHEMBL13706892 0.90 P2RX7 (0.48) P2RX7HCN4IL1B
SCHEMBL4530444 0.89 P2RX7 (0.45) P2RX7HCN4IL1B
SCHEMBL13706725 0.88 P2RX7 (0.49) P2RX7HCN4IL1BSLC6A9
SCHEMBL4541080 0.87 P2RX7 (0.46) P2RX7HCN4IL1B
SCHEMBL4535447 0.87 P2RX7 (0.46) P2RX7HCN4IL1B
SCHEMBL4541189 0.86 P2RX7 (0.49) P2RX7HCN4IL1BSLC6A9
SCHEMBL4540407 0.86 P2RX7 (0.47) P2RX7HCN4IL1BSLC6A9
SCHEMBL4362575 0.85 P2RX7 (0.47) P2RX7HCN4IL1BSLC6A9
SCHEMBL4354322 0.85 P2RX7 (0.49) P2RX7HCN4IL1BSLC6A9
SCHEMBL4536974 0.85 P2RX7 (0.49) P2RX7HCN4IL1BSLC6A9

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