SCHEMBL5102121

SCHEMBL5102121

CC(O)NCCNc1ccc2c(NC(=O)CC3CCCCC3)c(Cl)ccc2n1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.73
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 3/20 0.38
ROCK2 O75116 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
CSNK1D P48730 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1803753 0.86 P2RX7 (0.84) P2RX7L3MBTL1EPHX2ROCK2NPC1
SCHEMBL3838828 0.85 P2RX7 (0.80) P2RX7L3MBTL1EPHX2ROCK2NPC1
SCHEMBL1803472 0.85 P2RX7 (1.00) P2RX7L3MBTL1EPHX2ROCK2NPC1
Hydrochloric Acid SCHEMBL3836586 0.84 P2RX7 (0.98) P2RX7L3MBTL1EPHX2ROCK2NPC1
SCHEMBL1802611 0.84 P2RX7 (0.84) P2RX7L3MBTL1EPHX2ROCK2NPC1
SCHEMBL1801630 0.83 P2RX7 (0.76) P2RX7L3MBTL1EPHX2ROCK2NPC1
SCHEMBL1809424 0.83 P2RX7 (0.73) P2RX7L3MBTL1EPHX2ROCK2NPC1
SCHEMBL5807023 0.83 P2RX7 (0.67) P2RX7L3MBTL1EPHX2ROCK2NPC1
SCHEMBL5746004 0.83 P2RX7 (0.67) P2RX7L3MBTL1EPHX2ROCK2NPC1
SCHEMBL3841066 0.82 P2RX7 (0.71) P2RX7L3MBTL1EPHX2ROCK2NPC1

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
US-7408065-B2 P2X7 receptor antagonists and their use ASTRAZENECA AB (SE) 2008-08-05 US claimed