SCHEMBL4557909

SCHEMBL4557909

CC(C)c1n[nH]c(C(C)C)c1C(Cc1ccc(F)c(F)c1F)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.53
AKT1 P31749 2/20 0.31
DPP4 P27487 1/20 0.30
FAP Q12884 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL3405246 0.70 P2RX7 (1.00) P2RX7
SCHEMBL28170738 0.65 RIPK1 (0.41) P2RX7DPP4FAPDPP8DPP9
SCHEMBL455108 0.61 SLC6A2 (0.41) DPP4FAPDPP8DPP9DPP7
SCHEMBL8349146 0.61 CTSS (0.42) P2RX7DPP4FAPDPP8DPP9
SCHEMBL10116484 0.61 CYP1A2 (0.33) P2RX7
SCHEMBL1527383 0.60 USP2 (0.51) DPP4FAPDPP8DPP9DPP7
SCHEMBL13687604 0.59 RIPK1 (0.43) P2RX7RIPK1
SCHEMBL2564601 0.58 CES2 (0.43) P2RX7DPP4FAPDPP8DPP9
SCHEMBL2151373 0.58 CES2 (0.43) P2RX7DPP4FAPDPP8DPP9
SCHEMBL3718076 0.58 DPP4 (0.43) DPP4FAPDPP8DPP9DPP7

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-2009074519-A1 COMBINATIONS OF PYRAZOLYL OR ISOXAZOLYL P2X7 MODULATORS WITH FURTHER THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed