SCHEMBL5098673

SCHEMBL5098673

NC1CCCCN1c1ccc2c(NC(=O)CC3CCCCC3)c(Cl)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.57
L3MBTL1 Q9Y468 2/20 0.40
EPHX2 P34913 2/20 0.40
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39
ROCK2 O75116 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TERT O14746 1/20 0.37

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
SCHEMBL1804659 0.86 P2RX7 (0.57) P2RX7L3MBTL1EPHX2KCNQ3KCNQ2
SCHEMBL1803988 0.85 P2RX7 (0.58) P2RX7L3MBTL1EPHX2KCNQ3KCNQ2
SCHEMBL1804722 0.84 P2RX7 (0.56) P2RX7KCNQ3KCNQ2
SCHEMBL3837101 0.84 P2RX7 (0.56) P2RX7KCNQ3KCNQ2
SCHEMBL1803211 0.83 P2RX7 (0.54) P2RX7L3MBTL1EPHX2KCNQ3KCNQ2
SCHEMBL1802966 0.83 P2RX7 (0.55) P2RX7
SCHEMBL1806664 0.82 P2RX7 (0.59) P2RX7L3MBTL1EPHX2KCNQ3KCNQ2
SCHEMBL1801178 0.82 P2RX7 (0.59) P2RX7L3MBTL1EPHX2KCNQ3KCNQ2
Trifluoroacetic Acid SCHEMBL3836980 0.82 P2RX7 (0.52) P2RX7L3MBTL1EPHX2KCNQ3KCNQ2
SCHEMBL1805205 0.82 P2RX7 (0.58) P2RX7L3MBTL1EPHX2KCNQ3KCNQ2

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 disclosed