SCHEMBL6300255

SCHEMBL6300255

O=C1CNCc2ccccc2N1CCC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.44
CHRM4 P08173 9/20 0.44
CHRM5 P08912 9/20 0.44
CHRM1 P11229 9/20 0.44
CHRM3 P20309 9/20 0.44
HPGD P15428 1/20 0.43
HTR7 P34969 4/20 0.43
HTR1A P08908 2/20 0.43
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
OPRK1 P41145 1/20 0.43
EDNRB P24530 1/20 0.42
EDNRA P25101 1/20 0.42
DRD2 P14416 7/20 0.42
DRD4 P21917 7/20 0.42
DRD3 P35462 7/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41

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
SCHEMBL6302365 0.86 OPRL1 (0.47) CHRM3OPRM1OPRL1OPRK1EDNRB
SCHEMBL31033176 0.78 ALDH1A1 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6849564 0.78 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20707925 0.77 HTR2A (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7248585 0.75 ACHE (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6300286 0.75 ATAD2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6300376 0.75 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6768550 0.75 ALDH1A1 (0.54) HTR7HTR1ADRD3ACHE
SCHEMBL6300067 0.75 HTR7 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21257673 0.74 HRH1 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3

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