SCHEMBL2584743

SCHEMBL2584743

COC(=O)N1C[C@@H]2C=CCC(=O)N2[C@H](c2cc(F)c(F)c(F)c2)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
F10 P00742 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL4515352 0.86
SCHEMBL5095144 0.86
SCHEMBL4515349 0.86
SCHEMBL2581655 0.76 P2RX7 (0.36) P2RX7
SCHEMBL2587650 0.76 P2RX7 (0.36) P2RX7
SCHEMBL2590330 0.74
SCHEMBL2584708 0.72
SCHEMBL2586471 0.71
SCHEMBL2584745 0.70
SCHEMBL2589964 0.63 CHRNB2 (0.35) HDAC1HDAC2CHRNB2CHRNB4CHRNA3

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-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US disclosed