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SCHEMBL4351906

SCHEMBL4351906

Nc1nccnc1-n1cc(C(=O)NCC2(N3CCNCC3)CCCCC2)c2c(Cl)cccc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 7/20 0.49
▸ HCN4 Q9Y3Q4 2/20 0.48
▸ HCN1 O60741 1/20 0.48
▸ HCN3 Q9P1Z3 1/20 0.48
▸ HCN2 Q9UL51 1/20 0.48
▸ SLC6A9 P48067 11/20 0.45
▸ IL1B P01584 6/20 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
SCHEMBL4532044 0.90 P2RX7 (0.46) P2RX7HCN4HCN1HCN3HCN2
SCHEMBL13706828 0.89 HCN4 (0.51) P2RX7HCN4HCN1SLC6A9IL1B
SCHEMBL13706936 0.88 P2RX7 (0.47) P2RX7HCN4HCN1HCN3HCN2
SCHEMBL13706746 0.88 HCN4 (0.51) P2RX7HCN4HCN1SLC6A9IL1B
SCHEMBL4358768 0.88 P2RX7 (0.52) P2RX7HCN4HCN1HCN3HCN2
SCHEMBL4540407 0.87 P2RX7 (0.47) P2RX7HCN4SLC6A9IL1B
SCHEMBL4359606 0.86 P2RX7 (0.47) P2RX7HCN4HCN1HCN3HCN2
SCHEMBL4360116 0.86 P2RX7 (0.49) P2RX7HCN4HCN1HCN3HCN2
SCHEMBL4354591 0.85 P2RX7 (0.52) P2RX7HCN4HCN1HCN3HCN2
SCHEMBL4541189 0.84 P2RX7 (0.49) P2RX7HCN4HCN1HCN3HCN2

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