SCHEMBL2599386

SCHEMBL2599386

Cc1cc(Oc2c(F)cc(C(F)(F)F)cc2Cl)nn1CC1CCCO1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.39
HTR2C P28335 5/20 0.39
SLC6A4 P31645 5/20 0.39
CRHR1 P34998 1/20 0.38
MAPK1 P28482 1/20 0.37
HTR2A P28223 1/20 0.36
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL29768830 1.00 CNR2 (0.39) CNR2HTR2CSLC6A4CRHR1MAPK1
SCHEMBL17184061 0.94 CNR2 (0.40) CNR2HTR2CSLC6A4CRHR1MAPK1
SCHEMBL38969 0.81 MAPK1 (0.46) MAPK1RORC
SCHEMBL17184063 0.79 PLA2G7 (0.37) CRHR1
SCHEMBL28349585 0.76 P2RY12 (0.37) CRHR1MAPK1RORC
SCHEMBL39063 0.75 MAPK1 (0.48) MAPK1RORC
SCHEMBL17184060 0.72 GABRB3 (0.39) CRHR1
SCHEMBL19990336 0.72 RORC (0.38) CNR2HTR2CSLC6A4MAPK1RORC
SCHEMBL13201703 0.69 GABRP (0.34) MAPK1
SCHEMBL2962285 0.69 MEN1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566968-A1 PLANTS HAVING INCREASED TOLERANCE TO HERBICIDES BASF SE (DE) 2013-03-13 EP disclosed
WO-2011145015-A1 PLANTS HAVING INCREASED TOLERANCE TO HERBICIDES BASF SE (DE) 2011-11-24 WO disclosed