SCHEMBL8474401

SCHEMBL8474401

CC(C)(C)[Si](C)(C)OC(CN)COn1cnc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
FDPS P14324 1/20 0.33
POLB P06746 1/20 0.33
AGER Q15109 2/20 0.33
IDO1 P14902 1/20 0.33
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 3/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
APAF1 O14727 1/20 0.32
CYP1A2 P05177 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
SCHEMBL25866578 0.81 POLB (0.46) MAPTTDP1FDPSPOLBAGER
SCHEMBL17103302 0.71 SMN1; SMN2 (0.43) MAPTTDP1AGERIDO1LMNA
SCHEMBL8472318 0.69 TAAR1 (0.35) SMN1; SMN2KMT2AMEN1
SCHEMBL9675384 0.69 MEN1 (0.51) ADRB2ADRB1ADRB3MAPTTDP1
SCHEMBL28860663 0.68 TDP1 (0.48) TDP1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL15264910 0.67 AGER (0.48) MAPTTDP1POLBAGERIDO1
SCHEMBL7966886 0.66 GRK3 (0.34) ADRB2ADRB1ADRB3LMNAKMT2A
SCHEMBL17517790 0.66
SCHEMBL15357737 0.65 TDP1 (0.44) TDP1FDPSPOLBLMNASMN1; SMN2
SCHEMBL5622083 0.65

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5939443-A ANTIDIABETIC AGENTS AND TREATMENT OF OBESITY ELI LILLY AND COMPANY (US) 1999-08-17 US disclosed
US-5840738-A Selective β-3 adrenergic agonists ELI LILLY AND COMPANY (US) 1998-11-24 US disclosed
US-5808080-A Selective β3 adrenergic agonists ELI LILLY AND COMPANY (US) 1998-09-15 US disclosed