SCHEMBL7518205

SCHEMBL7518205

Cc1cc(N(C)C)nc(NCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 13/20 0.51
CCR3 P51677 11/20 0.47
ADRA2A P08913 2/20 0.44
HTR2B P41595 2/20 0.44
MCHR1 Q99705 2/20 0.44
FPR2 P25090 2/20 0.41
PROKR1 Q8TCW9 2/20 0.41
DNM2 P50570 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
KCNH2 Q12809 4/20 0.39
ADRA1A P35348 1/20 0.38
UTS2R Q9UKP6 1/20 0.37

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
SCHEMBL7556424 0.94 HRH1 (0.58) HRH1CCR3ADRA2AHTR2BMCHR1
SCHEMBL7598716 0.84 HRH1 (0.49) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL6398399 0.82 CCR3 (0.56) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL6398460 0.79 CCR3 (0.54) HRH1CCR3KDM4ECARM1PRMT6
SCHEMBL7518021 0.79 HRH1 (0.57) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL6398700 0.77 HRH1 (0.49) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL6395064 0.77 HRH1 (0.61) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL6394743 0.75 CCR3 (0.47) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL6395865 0.75 HRH1 (0.46) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL6402755 0.74 HRH1 (0.53) 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 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