SCHEMBL8138683

SCHEMBL8138683

CC(=O)OC[C@@H](C)n1ccc2c(NC(=O)CC34CC5CCCC(C3)C(C5)C4)c(C)ccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.49
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD11B1 P28845 1/20 0.31

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
SCHEMBL305995 0.90 P2RX7 (0.59) P2RX7GAACYP2C19
SCHEMBL305996 0.90 P2RX7 (0.59) P2RX7GAACYP2C19
SCHEMBL306574 0.79 P2RX7 (0.43) P2RX7
SCHEMBL306573 0.79 P2RX7 (0.43) P2RX7
SCHEMBL305416 0.79 P2RX7 (0.72) P2RX7GAACYP2C19
SCHEMBL305418 0.79 P2RX7 (0.72) P2RX7GAACYP2C19
SCHEMBL306210 0.78 P2RX7 (0.44) P2RX7
SCHEMBL306209 0.78 P2RX7 (0.44) P2RX7
SCHEMBL308030 0.69 P2RX7 (0.80) P2RX7
SCHEMBL307640 0.69 P2RX7 (0.80) P2RX7

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-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 WO disclosed