SCHEMBL13699778

SCHEMBL13699778

Bc1cccc2c1c(C(=O)NCC13CCC(CC1)CC3)cn2C(=O)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IL1B P01584 18/20 0.44
P2RX7 Q99572 17/20 0.40

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
SCHEMBL13673004 0.92 IL1B (0.42) IL1BP2RX7
SCHEMBL1019418 0.88 IL1B (0.42) IL1BP2RX7
SCHEMBL1020688 0.88 IL1B (0.55) IL1BP2RX7
SCHEMBL13672960 0.87 IL1B (0.39) IL1BP2RX7
SCHEMBL12955288 0.84 IL1B (0.42) IL1BP2RX7
SCHEMBL12955184 0.83 P2RX7 (0.44) IL1BP2RX7
SCHEMBL11955064 0.82 IL1B (0.44) IL1BP2RX7
SCHEMBL11954264 0.81 P2RX7 (0.46) IL1BP2RX7
SCHEMBL12955035 0.81 IL1B (0.51) IL1BP2RX7
SCHEMBL13673005 0.81 IL1B (0.42) 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 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