SCHEMBL4540407

SCHEMBL4540407

Nc1nccnc1-n1cc(C(=O)NCC2(N3CC[C@@H](N)C3)CCCCC2)c2c(Cl)cccc21

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.47
IL1B P01584 12/20 0.43
SLC6A9 P48067 6/20 0.42
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 0.89 P2RX7 (0.49) P2RX7IL1BSLC6A9HCN4
SCHEMBL4541348 0.88 P2RX7 (0.45) P2RX7IL1BHCN4
SCHEMBL4532044 0.87 P2RX7 (0.46) P2RX7IL1BSLC6A9HCN4
SCHEMBL4362575 0.87 P2RX7 (0.47) P2RX7IL1BSLC6A9HCN4
SCHEMBL4351906 0.87 P2RX7 (0.49) P2RX7IL1BSLC6A9HCN4
SCHEMBL4526436 0.86 P2RX7 (0.47) P2RX7IL1BSLC6A9HCN4
SCHEMBL13706828 0.85 HCN4 (0.51) P2RX7IL1BSLC6A9HCN4
SCHEMBL4536974 0.85 P2RX7 (0.49) P2RX7IL1BSLC6A9HCN4
SCHEMBL4354322 0.85 P2RX7 (0.49) P2RX7IL1BSLC6A9HCN4
SCHEMBL4531474 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 1 patent. 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