SCHEMBL27670204

SCHEMBL27670204

N=C1CCCCN1OC(=O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
INMT O95050 1/20 0.32
MLYCD O95822 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
SCHEMBL5422437 0.79 MITF (0.35) MLYCD
SCHEMBL8817337 0.75 INMT (0.35) INMT
SCHEMBL3566249 0.74 LMNA (0.37)
Hydrochloric Acid SCHEMBL7167557 0.74 ALDH1A1 (0.36) INMT
Trifluoroacetic Acid SCHEMBL5499910 0.70 INMT (0.37) INMTMLYCD
SCHEMBL7618068 0.70
SCHEMBL2721518 0.70 MLYCD (0.33) MLYCD
SCHEMBL980149 0.69 MLYCD (0.32) MLYCD
SCHEMBL7621571 0.68
SCHEMBL15355468 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1989104-B Cyclic amide derivatives, their preparation and their use as antithrombotic agents TAKEDA PHARMACEUTICAL 2011-07-13 CN disclosed
CN-102093285-A Cyclic amide derivatives, and their production and use as antithrombotic agents TAKEDA PHARMACEUTICAL 2011-06-15 CN disclosed
CN-1989104-A Cyclic amide derivatives, their preparation and their use as antithrombotic agents TAKEDA PHARMACEUTICAL (JP) 2007-06-27 CN disclosed