SCHEMBL6300067

SCHEMBL6300067

COCCN1C(=O)CNCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.40
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
DRD5 P21918 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD4 P21917 3/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
PYGL P06737 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
BACE1 P56817 1/20 0.38
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37

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
SCHEMBL30404097 0.83 HTR7 (0.54) HTR7DRD2DRD3DRD5DRD4
SCHEMBL578249 0.83 HTR7 (0.54) HTR7DRD2DRD3DRD5DRD4
SCHEMBL6300286 0.83 ATAD2 (0.43) DRD2DRD3LMNASMN1; SMN2DRD4
SCHEMBL6849564 0.82 CHRM2 (0.39) HTR7DRD2DRD3DRD5DRD4
SCHEMBL21257673 0.81 HRH1 (0.56) HTR7DRD2DRD3DRD5LMNA
SCHEMBL6302307 0.81 MAPT (0.50) HTR7DRD2DRD3DRD5SMN1; SMN2
SCHEMBL6300376 0.79 CHRM2 (0.52) DRD2DRD3SMN1; SMN2DRD4CHRM2
SCHEMBL6768550 0.79 ALDH1A1 (0.54) HTR7DRD3LMNAHTR1AKDM4E
SCHEMBL31033176 0.77 ALDH1A1 (0.51) HTR7DRD2DRD3DRD5DRD4
SCHEMBL6847652 0.77 DRD2 (0.53) HTR7DRD2DRD3DRD5DRD4

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-6528505-B1 Treating Alzheimer's disease;5-(S)-(N'-(L-prolyl)-L-alaninyl)-amino-7-methyl-5,7-di hydro-6H- dibenz(b,d)azepin-one ELAN PHARMACEUTICALS, INC. 2003-03-04 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