SCHEMBL28025818

SCHEMBL28025818

CC(Oc1cc(C(=O)O)ncc1Br)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.43
ASPH Q12797 1/20 0.40
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39

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
SCHEMBL15776157 1.00 CNR2 (0.43) CNR2ASPHGABRA1GABRG2GABRB3
SCHEMBL19225490 0.80 CNR2 (0.65) CNR2
SCHEMBL15777540 0.80 CNR2 (0.65) CNR2
SCHEMBL15777535 0.80 CNR2 (0.65) CNR2
SCHEMBL15776636 0.78 CNR2 (0.60) CNR2
SCHEMBL28025786 0.78 CNR2 (0.60) CNR2
SCHEMBL19225553 0.78 CNR2 (0.35) CNR2
SCHEMBL19225641 0.78 CNR2 (0.58) CNR2
SCHEMBL15776347 0.77 CNR2 (0.56) CNR2
SCHEMBL15776811 0.77 CNR2 (0.54) CNR2

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