SCHEMBL28026359

SCHEMBL28026359

CC(Oc1cc[n+]([O-])cc1Br)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.33
SLC6A9 P48067 5/20 0.32
KCNH2 Q12809 2/20 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
SCHEMBL15776455 1.00 RORC (0.33) RORCSLC6A9KCNH2
SCHEMBL15777319 0.75 KCNH2 (0.36) SLC6A9KCNH2
SCHEMBL28025811 0.75 KCNH2 (0.36) SLC6A9KCNH2
SCHEMBL12253383 0.72 ALDH1A1 (0.36)
SCHEMBL28026344 0.71 GPR84 (0.37) SLC6A9
SCHEMBL15776256 0.71 ALDH1A1 (0.37)
SCHEMBL28026343 0.71 GPR84 (0.37) SLC6A9
SCHEMBL16321818 0.68 LMNA (0.40)
SCHEMBL15777428 0.68 RORC (0.34) RORCSLC6A9
SCHEMBL28026353 0.68 RORC (0.34) RORCSLC6A9

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
CN-104837818-A Pyridine-2-amides useful as CB2 agonists HOFFMANN LA ROCHE 2015-08-12 CN disclosed