SCHEMBL5751573

SCHEMBL5751573

CS(=O)(=O)CCN1CCC(CCC2CCCN(CCS(C)(=O)=O)C2)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.34
GNAO1 P09471 1/20 0.33
DRD2 P14416 5/20 0.33
DRD3 P35462 4/20 0.33
ALDH1A1 P00352 3/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
ATM Q13315 1/20 0.33
DRD1 P21728 2/20 0.32
DRD4 P21917 2/20 0.32
DRD5 P21918 2/20 0.32
HTR7 P34969 2/20 0.31
HTR1A P08908 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2A P28223 1/20 0.31
BCHE P06276 1/20 0.31

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
SCHEMBL5566306 0.90 BACE1 (0.31) BACE1DRD2DRD3
SCHEMBL4373561 0.86 DRD2 (0.33) BACE1DRD2DRD3ALDH1A1CARM1
SCHEMBL665211 0.86 DRD2 (0.33) BACE1DRD2DRD3ALDH1A1CARM1
SCHEMBL4373562 0.85 BRD4 (0.35) BACE1DRD2DRD3ALDH1A1CARM1
SCHEMBL4382206 0.84 BACE1 (0.33) BACE1DRD2DRD3ALDH1A1CARM1
SCHEMBL4373649 0.83 CARM1 (0.35) BACE1DRD2DRD3ALDH1A1CARM1
SCHEMBL4382210 0.82 LMNA (0.35) BACE1DRD2DRD3ALDH1A1CARM1
SCHEMBL665189 0.81 DRD2 (0.34) BACE1DRD2DRD3ALDH1A1CARM1
SCHEMBL4373653 0.81 CYP2D6 (0.40) DRD2DRD3CARM1PRMT6BCHE
SCHEMBL666149 0.79 ALDH1A1 (0.35) GNAO1DRD2DRD3ALDH1A1CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658280-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2006-05-24 EP disclosed
WO-2005014582-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-02-17 WO disclosed
EP-1474420-A1 QUINAZOLINE COMPOUNDS Astrazeneca AB (SE) 2004-11-10 EP disclosed
WO-2003064413-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-08-07 WO disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 WO disclosed