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Sugi Predict / Compounds / SCHEMBL4351646

SCHEMBL4351646

SCHEMBL4351646

O=C(NCC1(N2CCNCC2)CCCCC1)c1cn(-c2ncc(F)cn2)c2cccc(Cl)c12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 14/20 0.49
▸ HCN4 Q9Y3Q4 2/20 0.49
▸ HCN1 O60741 1/20 0.49
▸ HCN3 Q9P1Z3 1/20 0.49
▸ HCN2 Q9UL51 1/20 0.49
▸ IL1B P01584 12/20 0.44
▸ SLC6A9 P48067 4/20 0.41

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
SCHEMBL4358768 0.92 P2RX7 (0.52) P2RX7HCN4HCN1HCN3HCN2
SCHEMBL13706846 0.90 HCN4 (0.59) P2RX7HCN4HCN1IL1BSLC6A9
SCHEMBL4523000 0.89 P2RX7 (0.46) P2RX7HCN4HCN1HCN3HCN2
SCHEMBL4538239 0.89 P2RX7 (0.46) P2RX7HCN4HCN1HCN3HCN2
SCHEMBL13706930 0.89 HCN4 (0.51) P2RX7HCN4HCN1IL1BSLC6A9
SCHEMBL13706839 0.88 HCN4 (0.52) P2RX7HCN4HCN1IL1BSLC6A9
SCHEMBL4531474 0.86 P2RX7 (0.47) P2RX7HCN4IL1B
SCHEMBL4360116 0.85 P2RX7 (0.49) P2RX7HCN4HCN1HCN3HCN2
SCHEMBL4354591 0.85 P2RX7 (0.52) P2RX7HCN4HCN1HCN3HCN2
SCHEMBL4351906 0.83 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