SCHEMBL7975401

SCHEMBL7975401

CC(C)(C)OC(=O)N(CCNc1cccc(-c2cccnc2C(=O)Nc2ccccc2)c1)C[C@H](O[Si](C)(C)C(C)(C)C)c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
NPSR1 Q6W5P4 4/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ADRB1 P08588 9/20 0.35
ADRB3 P13945 9/20 0.35
ADRB2 P07550 7/20 0.35
GRM4 Q14833 1/20 0.35
BACE1 P56817 1/20 0.34
ATR Q13535 1/20 0.34
KMT2A Q03164 2/20 0.33
KLRK1 P26718 1/20 0.33
MICA Q29983 1/20 0.33
RAET1L Q5VY80 1/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
NTSR1 P30989 2/20 0.33
ATM Q13315 1/20 0.32
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32

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
SCHEMBL7975406 1.00 MAPT (0.38) MAPTNPSR1MAPK1KDM4EADRB1
SCHEMBL7963988 0.96 MAPT (0.37) MAPTNPSR1MAPK1KDM4EADRB1
SCHEMBL7963987 0.88 ADRB1 (0.39) MAPTNPSR1MAPK1KDM4EADRB1
SCHEMBL7963984 0.88 ADRB1 (0.39) MAPTNPSR1MAPK1KDM4EADRB1
SCHEMBL6435848 0.81 ADRB1 (0.45) ADRB1ADRB3ADRB2
SCHEMBL6432460 0.81 ADRB3 (0.52) ADRB1ADRB3ADRB2
SCHEMBL6432465 0.81 ADRB3 (0.52) ADRB1ADRB3ADRB2
SCHEMBL6436877 0.81 MCHR1 (0.40) ADRB1ADRB3ADRB2
SCHEMBL6436884 0.81 MCHR1 (0.40) ADRB1ADRB3ADRB2
SCHEMBL6435843 0.81 ADRB1 (0.43) 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