SCHEMBL2581655

SCHEMBL2581655

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.36
PDE4B Q07343 9/20 0.32
PDE4A P27815 5/20 0.32
PDE4C Q08493 5/20 0.32
PDE4D Q08499 5/20 0.32
ALDH1A1 P00352 1/20 0.32
SHMT2 P34897 1/20 0.32
MGLL Q99685 1/20 0.31

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
SCHEMBL2587650 1.00 P2RX7 (0.36) P2RX7PDE4BPDE4APDE4CPDE4D
SCHEMBL4514287 0.86 HTT (0.33) P2RX7
SCHEMBL4520831 0.86 HTT (0.33) P2RX7
SCHEMBL4514289 0.86 HTT (0.33) P2RX7
SCHEMBL2584743 0.76 P2RX7 (0.32) P2RX7
SCHEMBL2579829 0.75 P2RX7 (0.36) P2RX7ALDH1A1MGLL
SCHEMBL3623316 0.75 P2RX7 (0.36) P2RX7ALDH1A1MGLL
SCHEMBL5126234 0.75 P2RX7 (0.36) P2RX7ALDH1A1MGLL
SCHEMBL3627713 0.75 P2RX7 (0.36) P2RX7ALDH1A1MGLL
SCHEMBL2577904 0.75 P2RX7 (0.33) P2RX7ALDH1A1MGLL

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