SCHEMBL21023948

SCHEMBL21023948

Cc1cc(C(F)(F)F)nn1C1CCN(C(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.38
GAA P10253 1/20 0.37
NR3C2 P08235 1/20 0.36
OGA O60502 2/20 0.35
HRH3 Q9Y5N1 3/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
PIK3CD O00329 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
KDM5A P29375 1/20 0.32

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
SCHEMBL21780763 0.85 GAA (0.40) GAANR3C2KDM4ELMNAL3MBTL1
SCHEMBL19954566 0.84 NR3C1 (0.36) NR3C1NR3C2OGAHRH3L3MBTL1
SCHEMBL21023691 0.84 GAA (0.37) NR3C1GAANR3C2OGAKDM4E
SCHEMBL16805955 0.84 ALOX15 (0.45) GAANR3C2KDM4ELMNA
SCHEMBL19954641 0.83 NR3C1 (0.35) NR3C1NR3C2OGAHRH3L3MBTL1
SCHEMBL21023568 0.83 GAA (0.36) NR3C1GAANR3C2OGAKDM4E
SCHEMBL18164009 0.82 GAA (0.39) NR3C1GAANR3C2KDM4ELMNA
SCHEMBL21024096 0.82 GAA (0.44) GAANR3C2KDM4ELMNATLR8
SCHEMBL18164107 0.82 GAA (0.41) GAANR3C2KDM4ELMNAL3MBTL1
SCHEMBL12912163 0.80 GAA (0.43) GAANR3C2KDM4ELMNATLR8

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-3080087-B1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2019-05-22 EP disclosed