SCHEMBL28512583

SCHEMBL28512583

CC(=O)N1CCN(c2ccc(CCO)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 6/20 0.61
CASP6 P55212 1/20 0.61
MAPT P10636 7/20 0.57
GAA P10253 6/20 0.57
ALOX15 P16050 6/20 0.57
ALOX12 P18054 6/20 0.57
KDM4E B2RXH2 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPK1 P28482 3/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
TSHR P16473 2/20 0.57
HTT P42858 2/20 0.57
LMNA P02545 2/20 0.57
HSP90AA1 P07900 1/20 0.57
HSP90AB1 P08238 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CYP17A1 P05093 1/20 0.54

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
SCHEMBL3334063 0.87 GFER (0.65) GFERCASP6MAPTGAAALOX15
SCHEMBL30722331 0.84 ITGB3 (0.62) GFERCASP6MAPTGAAALOX15
SCHEMBL1433124 0.84 AOC3 (0.72) CYP17A1CYP21A2CYP11B1RORCAOC3
SCHEMBL764335 0.83 MAPT (0.76) GFERCASP6MAPTGAAALOX15
SCHEMBL20346925 0.82 GFER (0.68) GFERCASP6MAPTGAAALOX15
SCHEMBL20424995 0.81 GFER (0.61) GFERCASP6MAPTGAAALOX15
SCHEMBL23355487 0.80 MAPT (0.61) MAPTGAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL15392533 0.80 CHKA (0.65) GFERMAPTGAAKDM4ESMN1; SMN2
SCHEMBL20306323 0.79 GFER (0.59) GFERCASP6MAPTGAAALOX15
SCHEMBL30754206 0.79 GFER (0.64) GFERCASP6MAPTGAAALOX15

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-112423758-A Adenosine receptor binding compounds 尼康治疗公司 2021-02-26 CN disclosed