SCHEMBL13699800

SCHEMBL13699800

Bc1cccc2c1c(C(=O)NCC13CCC(CC1)CC3)cn2CCc1nn[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.41
IL1B P01584 17/20 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
SCHEMBL12955308 0.92 P2RX7 (0.40) P2RX7IL1B
SCHEMBL1019588 0.91 P2RX7 (0.41) P2RX7IL1B
SCHEMBL1020260 0.91 P2RX7 (0.39) P2RX7IL1B
SCHEMBL1020683 0.91 P2RX7 (0.51) P2RX7IL1B
SCHEMBL13673074 0.84 P2RX7 (0.50) P2RX7IL1B
SCHEMBL11954264 0.83 P2RX7 (0.46) P2RX7IL1B
SCHEMBL13673003 0.83 P2RX7 (0.49) P2RX7IL1B
SCHEMBL12954990 0.82 P2RX7 (0.44) P2RX7IL1B
SCHEMBL12955184 0.81 P2RX7 (0.44) P2RX7IL1B
SCHEMBL11955064 0.78 IL1B (0.44) P2RX7IL1B

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
EP-2105164-A1 Novel P2X7R antagonists and their use Affectis Pharmaceuticals AG (DE) 2009-09-30 EP disclosed