SCHEMBL27999963

SCHEMBL27999963

O=C(O)c1ccc(CN2CCN(C(=O)O)CC2)c(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 13/20 0.49
DDR1 Q08345 3/20 0.46
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
LSS P48449 1/20 0.41

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
SCHEMBL17800213 0.88 DDR1 (0.50) MGLLDDR1
SCHEMBL20195993 0.88 CYP2D6 (0.49) MGLLDDR1ALDH1A1
SCHEMBL28000113 0.87 MGLL (0.49) MGLLDDR1ALDH1A1LSS
SCHEMBL16528124 0.87 MGLL (0.54) MGLLDDR1
SCHEMBL15094084 0.85 MGLL (0.49) MGLLALDH1A1LMNA
SCHEMBL15094168 0.82 MGLL (0.49) MGLL
SCHEMBL28000125 0.82 MGLL (0.57) MGLLALDH1A1
SCHEMBL15847483 0.81 ALDH1A1 (0.54) DDR1ALDH1A1LMNA
SCHEMBL21802540 0.80 MGLL (0.48) MGLL
SCHEMBL27999959 0.78 MGLL (0.52) MGLLALDH1A1PTGDR2

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-104379560-A Benzamide derivative CHUGAI PHARMACEUTICAL CO LTD 2015-02-25 CN disclosed