SCHEMBL6612950

SCHEMBL6612950

CCN1CCCC1CN(c1ccc(OC)c(F)c1)c1nc(N)nc(OCC2CCCCC2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.33
DRD3 P35462 3/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KRAS P01116 1/20 0.33
CA2 P00918 2/20 0.33
DRD1 P21728 2/20 0.33
DRD4 P21917 2/20 0.33
CA9 Q16790 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA3 P07451 1/20 0.33

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
SCHEMBL6231327 0.89 DRD2 (0.35) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL6607362 0.85 GALR1 (0.39) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL5554025 0.84 GALR1 (0.38) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL6016946 0.83 SMN1; SMN2 (0.44) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL6864393 0.82 DRD2 (0.41) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL5553593 0.82 DRD2 (0.38) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL6228882 0.81 KDM4E (0.32) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL6427953 0.80 KDM4E (0.33) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL6235105 0.80 SMN1; SMN2 (0.34) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL5412204 0.79 KDM4E (0.40) DRD2RECQLSMN1; SMN2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436266-A4 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-12-22 EP claimed
EP-1436266-A2 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2004-07-14 EP claimed
WO-2003024926-A2 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2003-03-27 WO claimed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO disclosed