SCHEMBL7448616

SCHEMBL7448616

O[C]1CCOc2c(OC(F)F)cc(Cl)cc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4B Q07343 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
SCHEMBL5402643 0.83 MAOB (0.34) MEN1LMNAMAPTHTTKMT2A
SCHEMBL5407585 0.83 PDE4B (0.31) MEN1LMNAMAPTHTTKMT2A
SCHEMBL7448622 0.70 MAP3K14 (0.42) MEN1LMNAMAPTHTTKMT2A
SCHEMBL12316702 0.69 LMNA (0.37) MEN1LMNAMAPTKMT2A
SCHEMBL5477746 0.67 MAP3K14 (0.35)
SCHEMBL5402110 0.67 MAP3K14 (0.35)
SCHEMBL5399566 0.66 MEN1 (0.36) MEN1LMNAMAPTHTTKMT2A
SCHEMBL5399565 0.65
SCHEMBL6606462 0.64
SCHEMBL5410275 0.63 MAOB (0.34) MEN1LMNAMAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140820-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2001-10-10 EP disclosed
WO-2000035869-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2000-06-22 WO disclosed