SCHEMBL7600260

SCHEMBL7600260

CNc1nc(N)nc(C)c1CCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.48
CCR3 P51677 6/20 0.45
FPR2 P25090 2/20 0.43
PROKR1 Q8TCW9 2/20 0.43
TLR8 Q9NR97 9/20 0.42
TLR7 Q9NYK1 9/20 0.42
KCNH2 Q12809 4/20 0.41
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6402580 0.81 HRH1 (0.48) HRH1CCR3FPR2PROKR1KCNH2
SCHEMBL7604161 0.77 HRH1 (0.58) HRH1CCR3FPR2PROKR1TLR8
SCHEMBL6397887 0.77 HRH1 (0.46) HRH1CCR3FPR2PROKR1KCNH2
Ammonia Solution, Strong SCHEMBL6398869 0.76 HRH1 (0.45) HRH1CCR3FPR2PROKR1KCNH2
SCHEMBL5102799 0.74 HRH1 (0.59) HRH1CCR3FPR2PROKR1KCNH2
SCHEMBL6312412 0.72 MEN1 (0.46) HRH1CCR3KDM4E
SCHEMBL7518021 0.72 HRH1 (0.57) HRH1CCR3FPR2PROKR1KCNH2
SCHEMBL5363961 0.72 CCR3 (0.59) HRH1CCR3KCNH2
SCHEMBL5102629 0.72 HRH1 (0.61) HRH1CCR3KCNH2KDM4E
SCHEMBL5369447 0.71 HRH1 (0.56) HRH1CCR3FPR2PROKR1KCNH2

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-1165545-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-01-02 EP disclosed
WO-2000058305-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-10-05 WO disclosed