SCHEMBL13617436

SCHEMBL13617436

COC(=O)[C@@H](N)Cc1cn(CCCC(F)(F)F)cn1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 15/20 0.44
CPB1 P15086 5/20 0.44
SIRT2 Q8IXJ6 4/20 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
Hydrochloric Acid SCHEMBL3844064 0.84 CPB2 (0.46) CPB2CPB1
SCHEMBL8348975 0.83 CPB2 (0.57) CPB2CPB1
SCHEMBL8349095 0.81 CPB2 (0.44) CPB2CPB1
SCHEMBL8346107 0.77 CPB2 (0.61) CPB2CPB1
SCHEMBL1693106 0.77 CYP2C9 (0.44) CPB2CPB1
SCHEMBL2736340 0.77 CYP2C9 (0.44) CPB2CPB1
SCHEMBL8345790 0.77 CPB2 (0.43) CPB2CPB1SIRT2
SCHEMBL7950368 0.76 CPB2 (0.35) CPB2CPB1SIRT2
Hydrochloric Acid SCHEMBL29400350 0.76 TDP1 (0.45) CPB2CPB1
Hydrochloric Acid SCHEMBL2939066 0.75 ALDH1A1 (0.36) CPB2CPB1SIRT2

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
EP-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed