SCHEMBL7604161

SCHEMBL7604161

Cc1cc(NCCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)nc(N)n1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 11/20 0.58
CCR3 P51677 11/20 0.47
TLR8 Q9NR97 1/20 0.44
FPR2 P25090 2/20 0.43
PROKR1 Q8TCW9 2/20 0.43
KDM4E B2RXH2 1/20 0.40
KCNH2 Q12809 4/20 0.40
HRH4 Q9H3N8 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 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 0.88 HRH1 (0.57) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL6397276 0.87 HRH1 (0.56) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL6395820 0.85 HRH1 (0.54) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL6398872 0.85 HRH1 (0.59) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL6402580 0.83 HRH1 (0.48) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL7598716 0.82 HRH1 (0.49) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL6397887 0.81 HRH1 (0.46) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL6398700 0.81 HRH1 (0.49) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL6395690 0.81 HRH1 (0.59) HRH1CCR3FPR2PROKR1KCNH2
SCHEMBL6396033 0.81 HRH1 (0.59) HRH1CCR3FPR2PROKR1KDM4E

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 3 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