SCHEMBL3957166

SCHEMBL3957166

FC(F)C(F)(F)COc1ccc(OC2CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.49
MMP14 P50281 2/20 0.49
HRH1 P35367 4/20 0.49
ACACB O00763 2/20 0.44
HTT P42858 2/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ROCK1 Q13464 2/20 0.39
IKBKB O14920 1/20 0.38
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SLC6A4 P31645 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ROCK2 O75116 1/20 0.36
PRKACA P17612 1/20 0.36
PRKCD Q05655 1/20 0.36
PRKG1 Q13976 1/20 0.36
PKN1 Q16512 1/20 0.36

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 SCHEMBL75063 0.99 MMP13 (0.48) MMP13MMP14HRH1ACACBHTT
SCHEMBL76104 0.85 HRH1 (0.54) MMP13MMP14HRH1ACACBALDH1A1
Hydrochloric Acid SCHEMBL75024 0.84 HRH1 (0.53) MMP13MMP14HRH1ACACBALDH1A1
Hydrochloric Acid SCHEMBL76279 0.81 HRH1 (0.50) MMP13MMP14HRH1ROCK1IKBKB
SCHEMBL76222 0.79 HRH1 (0.54) MMP13MMP14HRH1ROCK1IKBKB
SCHEMBL74143 0.78 HRH1 (0.53) MMP13MMP14HRH1ACACBROCK1
Hydrochloric Acid SCHEMBL4325018 0.78 HRH1 (0.53) MMP13MMP14HRH1ROCK1IKBKB
SCHEMBL14997908 0.77 HRH1 (0.59) HRH1ROCK1IKBKBHTR1ASLC6A2
Hydrochloric Acid SCHEMBL74092 0.77 HRH1 (0.51) MMP13MMP14HRH1ACACBROCK1
SCHEMBL14795267 0.76 HRH1 (0.47) MMP13MMP14HRH1ROCK1IKBKB

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
EP-1828166-B1 HYDANTOIN DERIVATIVES USEFUL AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2009-07-22 EP disclosed
EP-1828166-A1 HYDANTOIN DERIVATIVES USEFUL AS METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2007-09-05 EP disclosed
WO-2006064218-A1 HYDANTOIN DERIVATIVES USEFUL AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed