SCHEMBL7598716

SCHEMBL7598716

CNc1nc(C)cc(NCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 14/20 0.49
CCR3 P51677 14/20 0.48
FPR2 P25090 2/20 0.44
PROKR1 Q8TCW9 2/20 0.44
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
KDM4E B2RXH2 1/20 0.40
KCNH2 Q12809 7/20 0.39
UTS2R Q9UKP6 1/20 0.38

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
SCHEMBL7518021 0.94 HRH1 (0.57) HRH1CCR3FPR2PROKR1CARM1
SCHEMBL6398700 0.86 HRH1 (0.49) HRH1CCR3FPR2PROKR1CARM1
SCHEMBL7518205 0.84 HRH1 (0.51) HRH1CCR3FPR2PROKR1CARM1
SCHEMBL7604161 0.82 HRH1 (0.58) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL6395820 0.81 HRH1 (0.54) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL6397276 0.80 HRH1 (0.56) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL6398399 0.79 CCR3 (0.56) HRH1CCR3FPR2PROKR1CARM1
SCHEMBL6404026 0.79 CCR3 (0.52) HRH1CCR3FPR2PROKR1CARM1
SCHEMBL7556424 0.79 HRH1 (0.58) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL7596643 0.78 HRH1 (0.48) HRH1CCR3FPR2PROKR1CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002540204-A 2002-11-26 JP claimed
EP-1165545-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-01-02 EP claimed
WO-2000058305-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-10-05 WO claimed
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