SCHEMBL13672906

SCHEMBL13672906

Bc1cccc2c1c(C(=O)NCC1CCCCCC1)cn2C(=O)N(C)CC

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IL1B P01584 13/20 0.49
P2RX7 Q99572 12/20 0.46
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 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
SCHEMBL13672907 0.91 IL1B (0.48) IL1BP2RX7KMT2ANPC1
SCHEMBL1019477 0.89 IL1B (0.62) IL1BP2RX7
SCHEMBL1020293 0.89 IL1B (0.49) IL1BP2RX7KMT2AMEN1ALDH1A1
SCHEMBL12955034 0.84 P2RX7 (0.49) IL1BP2RX7KMT2AMEN1NPC1
SCHEMBL11955051 0.82 P2RX7 (0.53) IL1BP2RX7
SCHEMBL12955002 0.81 P2RX7 (0.53) IL1BP2RX7KMT2AMEN1NPC1
SCHEMBL12955006 0.81 P2RX7 (0.53) IL1BP2RX7KMT2AMEN1NPC1
SCHEMBL13673004 0.81 IL1B (0.42) IL1BP2RX7
SCHEMBL13672898 0.80 P2RX7 (0.51) IL1BP2RX7KMT2ANPC1
SCHEMBL11954745 0.80 P2RX7 (0.57) 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
WO-2009118175-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2009-10-01 WO disclosed