SCHEMBL6300407

SCHEMBL6300407

CCC(C)CN1C(=O)CNCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
DRD3 P35462 3/20 0.43
CYP3A4 P08684 2/20 0.43
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC22A1 O15245 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
CACNA1B Q00975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL6299971 0.87 BMPR1B (0.37) LMNADRD3CYP3A4CHRM2CHRM1
SCHEMBL6300286 0.84 ATAD2 (0.43) LMNADRD3CHRM2CHRM1MEN1
SCHEMBL6300067 0.74 HTR7 (0.40) LMNADRD3CHRM2CHRM1HTR1A
SCHEMBL6849564 0.74 CHRM2 (0.39) DRD3CHRM2CHRM1HTR1AADRA1A
SCHEMBL7242621 0.74 ADRA2A (0.42) LMNADRD3CYP3A4CHRM2CHRM1
SCHEMBL6302300 0.74 POLB (0.65) DRD3CHRM2CHRM1MEN1KMT2A
SCHEMBL21257673 0.73 HRH1 (0.56) LMNADRD3CYP3A4CHRM2CHRM1
SCHEMBL3425056 0.72 NPSR1 (0.57) LMNAMEN1KMT2AGAA
SCHEMBL6300376 0.71 CHRM2 (0.52) DRD3CHRM2CHRM1TSHRHSD17B10
SCHEMBL6768550 0.71 ALDH1A1 (0.54) LMNADRD3CYP3A4HTR1ASLC6A4

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-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