SCHEMBL13706752

SCHEMBL13706752

Cc1ccnc2c1c(C(=O)NCC1(O)CCCCCC1)cn2-c1ncccn1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.47
IL1B P01584 3/20 0.45

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
SCHEMBL4528078 1.00 P2RX7 (0.47) P2RX7IL1B
SCHEMBL13706855 0.89 P2RX7 (0.46) P2RX7IL1B
SCHEMBL11026570 0.88 P2RX7 (0.54) P2RX7IL1B
SCHEMBL4535427 0.88 P2RX7 (0.54) P2RX7IL1B
SCHEMBL4535624 0.86 P2RX7 (0.52) P2RX7IL1B
SCHEMBL4542300 0.86 P2RX7 (0.52) P2RX7IL1B
SCHEMBL13706853 0.84 HCN1 (0.60) P2RX7
SCHEMBL4531028 0.84 P2RX7 (0.60) P2RX7IL1B
SCHEMBL13706894 0.84 ALDH1A1 (0.58) P2RX7
SCHEMBL13706774 0.83 HCN4 (0.55)

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 disclosed