SCHEMBL1574536

SCHEMBL1574536

CC1CCN(C(=O)Oc2n[nH]c3nc(C(F)(F)F)ccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.43
GAA P10253 1/20 0.43
TRPV1 Q8NER1 9/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL1574022 0.84 GAA (0.46) LIPEGAAMEN1ALDH1A1CYP1A2
SCHEMBL1574490 0.79 LIPE (0.50) LIPEGAAMEN1ALDH1A1CYP1A2
SCHEMBL1573909 0.78 KMT2A (0.54) LIPEGAAMEN1ALDH1A1CYP1A2
SCHEMBL2951097 0.77 LIPE (0.42) LIPEGAATRPV1MEN1ALDH1A1
SCHEMBL1573835 0.75 GAA (0.45) LIPEGAAMEN1ALDH1A1CYP1A2
SCHEMBL1573881 0.74 GAA (0.43) GAAMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL1573600 0.74 RAB9A (0.58) GAAMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL1573947 0.73 GAA (0.46) GAAMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL1573823 0.73 GAA (0.45) LIPEGAAMEN1ALDH1A1CYP1A2
SCHEMBL1574523 0.73 ALDH1A1 (0.46) GAAMEN1ALDH1A1CYP1A2CYP3A4

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-1713779-B1 INDAZOLE DERIVATIVES AS INHIBITORS OF HORMONE-SENSITIVE LIPASES SANOFI AVENTIS DEUTSCHLAND (DE) 2011-04-13 EP disclosed