SCHEMBL6849564

SCHEMBL6849564

CC(C)(C)CCN1C(=O)CNCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.39
CHRM4 P08173 6/20 0.39
CHRM5 P08912 6/20 0.39
CHRM1 P11229 6/20 0.39
CHRM3 P20309 6/20 0.39
DRD2 P14416 6/20 0.39
DRD3 P35462 6/20 0.39
DRD4 P21917 5/20 0.39
HTR7 P34969 7/20 0.38
POLB P06746 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
HTR1A P08908 4/20 0.36
BRPF1 P55201 1/20 0.36
PARK7 Q99497 1/20 0.36
DRD5 P21918 1/20 0.36

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
SCHEMBL6300286 0.83 ATAD2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6300067 0.82 HTR7 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21257673 0.81 HRH1 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6300376 0.79 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6768550 0.79 ALDH1A1 (0.54) DRD3HTR7HTR1A
SCHEMBL6300255 0.78 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31033176 0.77 ALDH1A1 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6847652 0.77 DRD2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6300505 0.77 POLB (0.51) DRD2DRD4POLB
SCHEMBL2945673 0.76 BRPF1 (0.56) ADRA1ABRPF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774125-B2 TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2004-08-10 US disclosed
US-6509331-B1 Bicyclic amides such as 5-('-(2S-hydroxy-3-methylbutyrl)-2S-aminopropyl)amino-7-methyl-5,7-dihydro -6H-dibenz(b,d)azepin-6-one ELAN PHARMACEUTICALS, INC. 2003-01-21 US disclosed