SCHEMBL6465675

SCHEMBL6465675

C#CCC1CCCN(C(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KCNH2 Q12809 5/20 0.34
CCR2 P41597 1/20 0.34
CYP2D6 P10635 7/20 0.33
GHSR Q92847 6/20 0.32
KDM2B Q8NHM5 1/20 0.32
BCHE P06276 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL26864272 0.86 HRH3 (0.36) KCNH2MAOB
SCHEMBL26890222 0.82 DRD2 (0.40) DRD2DRD3KCNH2CCR2CYP2D6
SCHEMBL6464178 0.77 HRH3 (0.39) KCNH2MAOB
SCHEMBL16376634 0.77 KCNH2 (0.36) DRD2DRD3KCNH2CCR2CYP2D6
SCHEMBL21037748 0.77 KCNH2 (0.36) DRD2DRD3KCNH2CCR2CYP2D6
SCHEMBL9926452 0.77 KCNH2 (0.36) DRD2DRD3KCNH2CCR2CYP2D6
SCHEMBL14210643 0.77 KCNH2 (0.36) DRD2DRD3KCNH2CCR2CYP2D6
SCHEMBL20235020 0.77 DRD3 (0.37) DRD2DRD3KCNH2CYP2D6MAOB
SCHEMBL1789882 0.77 KCNH2 (0.39) DRD2DRD3KCNH2CCR2CYP2D6
SCHEMBL12209133 0.76 NCF1 (0.39) DRD2DRD3KCNH2CCR2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119567-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-05-04 EP claimed