SCHEMBL7929092

SCHEMBL7929092

Bc1cccc2c1C[C@@](NC(=O)OC(C)(C)C)(C(C)=O)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.41
EPHX2 P34913 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
MAPT P10636 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
NAMPT P43490 2/20 0.31
CXCR5 P32302 2/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 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
SCHEMBL7921532 0.85 GHSR (0.41) GHSREPHX2DPP8DPP9MAPT
SCHEMBL7916929 0.85 GHSR (0.41) GHSREPHX2DPP8DPP9MAPT
SCHEMBL7920225 0.74 GHSR (0.37) GHSREPHX2DPP8DPP9DDB1
SCHEMBL1425219 0.73 GHSR (0.53) GHSREPHX2CXCR5
SCHEMBL29707280 0.73 GHSR (0.53) GHSREPHX2CXCR5
SCHEMBL31240165 0.72 GHSR (0.41) GHSRNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5416762 0.72 GHSR (0.52) GHSREPHX2DPP8DPP9CA12
SCHEMBL5034413 0.72 GHSR (0.52) GHSREPHX2DPP8DPP9CA12
SCHEMBL5390112 0.71 CXCR5 (0.46) GHSRCXCR5
SCHEMBL5404964 0.70 GHSR (0.47) GHSREPHX2DPP8DPP9CA12

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
WO-2010042473-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS SCHERING CORPORATION (US) 2010-04-15 WO disclosed