SCHEMBL6300376

SCHEMBL6300376

O=C1CNCc2ccccc2N1CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.52
CHRM4 P08173 3/20 0.52
CHRM5 P08912 3/20 0.52
CHRM1 P11229 3/20 0.52
DRD2 P14416 3/20 0.52
CHRM3 P20309 3/20 0.52
DRD4 P21917 3/20 0.52
DRD3 P35462 3/20 0.52
KMT2A Q03164 4/20 0.50
GAA P10253 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HTT P42858 2/20 0.50
APAF1 O14727 1/20 0.50
CASP1 P29466 1/20 0.50
RAB9A P51151 1/20 0.50
BLM P54132 1/20 0.50
CASP7 P55210 1/20 0.50

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
SCHEMBL6847652 0.92 DRD2 (0.53) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL6302300 0.85 POLB (0.65) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL6300286 0.80 ATAD2 (0.43) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL6768550 0.79 ALDH1A1 (0.54) DRD3ALDH1A1RAB9AMAPK1TSHR
SCHEMBL6300067 0.79 HTR7 (0.40) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL6849564 0.79 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL21257673 0.78 HRH1 (0.56) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL6302307 0.78 MAPT (0.50) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL31033176 0.77 ALDH1A1 (0.51) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL9835589 0.76 GSK3A (0.59) KMT2AGAAALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838455-B2 Deoxyamino acid compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2005-01-04 US disclosed
US-6774125-B2 TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2004-08-10 US disclosed
US-6696438-B2 AMYLOID PRECURSOR PROTEIN ANTAGONISTS, 3-((N'-(3-PYRIDINOYL)-L -ALANINYL)-AMINO-3-METHYL-4,5,6,7-TETRAHYDRO-2H-3-BENZAZEPIN-2-ONE, USED FOR PROPHYLAXIS OF NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2004-02-24 US disclosed
US-6552013-B1 For therapy of Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2003-04-22 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