SCHEMBL8133643

SCHEMBL8133643

CNC[C@@H](C)n1ccc2c(C(=O)NCC3CCC(F)CC3)c(Cl)ccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.43
KCNH2 Q12809 1/20 0.34
PAK1 Q13153 1/20 0.34

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
SCHEMBL10169769 0.92 P2RX7 (0.40) P2RX7KCNH2PAK1
SCHEMBL8130461 0.92 P2RX7 (0.44) P2RX7
SCHEMBL8140671 0.91 P2RX7 (0.43) P2RX7
SCHEMBL8132877 0.90 P2RX7 (0.52) P2RX7
SCHEMBL8139257 0.86 P2RX7 (0.54) P2RX7
SCHEMBL8125277 0.85 P2RX7 (0.44) P2RX7
SCHEMBL10169773 0.84 P2RX7 (0.47) P2RX7
SCHEMBL10169767 0.82 P2RX7 (0.40) P2RX7
SCHEMBL307024 0.82 P2RX7 (0.49) P2RX7
SCHEMBL305529 0.81 P2RX7 (0.54) 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