SCHEMBL7963984

SCHEMBL7963984

CC(CNc1cccc(-c2cccnc2C(=O)Nc2ccccc2)c1)N(CC(O[Si](C)(C)C(C)(C)C)c1cccc(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 13/20 0.39
ADRB3 P13945 13/20 0.39
ADRB2 P07550 11/20 0.39
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GRM4 Q14833 1/20 0.34
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
ATR Q13535 1/20 0.33
MEN1 O00255 1/20 0.33
NTSR1 P30989 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33

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
SCHEMBL7963987 1.00 ADRB1 (0.39) ADRB1ADRB3ADRB2MAPTMAPK1
SCHEMBL7975406 0.88 MAPT (0.38) ADRB1ADRB3ADRB2MAPTMAPK1
SCHEMBL7975401 0.88 MAPT (0.38) ADRB1ADRB3ADRB2MAPTMAPK1
SCHEMBL7963988 0.86 MAPT (0.37) ADRB1ADRB3ADRB2MAPTMAPK1
SCHEMBL6432603 0.85 ADRB1 (0.45) ADRB1ADRB3ADRB2
SCHEMBL6432600 0.85 ADRB1 (0.45) ADRB1ADRB3ADRB2
SCHEMBL6433079 0.83 ADRB3 (0.48) ADRB1ADRB3ADRB2
SCHEMBL6433080 0.83 ADRB3 (0.48) ADRB1ADRB3ADRB2
SCHEMBL7964109 0.82 ADRB1 (0.44) ADRB1ADRB3ADRB2
SCHEMBL7964112 0.82 ADRB1 (0.44) ADRB1ADRB3ADRB2

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-2001042217-A1 BETA-3 ADRENOCEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-14 WO disclosed