SCHEMBL13673003

SCHEMBL13673003

Bc1cccc2c1c(C(=O)NCC1CCCCCC1)cn2CCc1nn[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.49
IL1B P01584 17/20 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
SCHEMBL1020901 0.90 P2RX7 (0.48) P2RX7IL1B
SCHEMBL1019094 0.90 P2RX7 (0.48) P2RX7IL1B
SCHEMBL1019339 0.90 P2RX7 (0.56) P2RX7IL1B
SCHEMBL12955175 0.83 P2RX7 (0.70) P2RX7IL1B
SCHEMBL13672899 0.83 P2RX7 (0.70) P2RX7IL1B
SCHEMBL13699800 0.83 P2RX7 (0.41) P2RX7IL1B
SCHEMBL11954745 0.82 P2RX7 (0.57) P2RX7IL1B
SCHEMBL11955051 0.80 P2RX7 (0.53) P2RX7IL1B
SCHEMBL12955006 0.78 P2RX7 (0.53) P2RX7IL1B
SCHEMBL12955002 0.78 P2RX7 (0.53) 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
WO-2009118175-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2009-10-01 WO disclosed