SCHEMBL4434976

SCHEMBL4434976

O=[N+]([O-])c1cc(CBr)cc(C2CNCCO2)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HTR1A P08908 1/20 0.37
KCNH2 Q12809 1/20 0.35

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
SCHEMBL5058415 0.76 DRD2 (0.59) DRD2DRD3HTR1A
SCHEMBL2295355 0.76 DRD2 (0.47) DRD2DRD3
SCHEMBL5118709 0.76 DRD2 (0.47) DRD2DRD3
SCHEMBL2295207 0.76 DRD2 (0.47) DRD2DRD3
SCHEMBL8306011 0.72 HTR1A (0.38) DRD2DRD3HTR1A
Formic Acid SCHEMBL28265868 0.70 DRD2 (0.45) DRD2DRD3
SCHEMBL27083132 0.69 PRKACA (0.47) DRD2DRD3HTR1A
SCHEMBL28810972 0.69 DRD2 (0.41) DRD2DRD3
SCHEMBL27949769 0.69 HTT (0.49) DRD2DRD3
SCHEMBL629543 0.69 CYP19A1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132184-A1 NOVEL PYRIMIDINE DERIVATIVES 698 AstraZeneca AB (SE) 2009-12-16 EP disclosed
WO-2008104754-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-09-04 WO disclosed