SCHEMBL4353776

SCHEMBL4353776

CNC1(CNC(=O)c2cn(-c3ncccn3)c3cccc(Cl)c23)CCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IL1B P01584 17/20 0.52
P2RX7 Q99572 16/20 0.52
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 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
SCHEMBL3746886 0.87 P2RX7 (0.64) IL1BP2RX7
SCHEMBL3641795 0.87 P2RX7 (0.64) IL1BP2RX7
SCHEMBL4540743 0.87 HTR3E (0.43) IL1BP2RX7HTR3EHTR3BHTR3A
SCHEMBL4364472 0.87 P2RX7 (0.51) IL1BP2RX7
SCHEMBL3748009 0.86 P2RX7 (0.62) IL1BP2RX7
SCHEMBL13706940 0.85 P2RX7 (0.49) IL1BP2RX7
SCHEMBL3745438 0.83 P2RX7 (0.57) IL1BP2RX7
SCHEMBL3688404 0.83 HCN4 (0.63) IL1BP2RX7
SCHEMBL4357339 0.83 HCN4 (0.63) IL1BP2RX7
SCHEMBL4540891 0.82 IL1B (0.47) IL1BP2RX7

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