SCHEMBL6402580

SCHEMBL6402580

Cc1cc(CCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)nc(N)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 13/20 0.48
CCR3 P51677 13/20 0.48
FPR2 P25090 2/20 0.43
PROKR1 Q8TCW9 2/20 0.43
KDM4E B2RXH2 1/20 0.42
DRD2 P14416 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
KCNH2 Q12809 6/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 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
SCHEMBL6397887 0.94 HRH1 (0.46) HRH1CCR3FPR2PROKR1KDM4E
Ammonia Solution, Strong SCHEMBL6398869 0.93 HRH1 (0.45) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL7604161 0.83 HRH1 (0.58) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL7600260 0.81 HRH1 (0.48) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL5102799 0.77 HRH1 (0.59) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL5369447 0.74 HRH1 (0.56) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL6401228 0.73 HRH1 (0.47) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL6398872 0.73 HRH1 (0.59) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL7518021 0.73 HRH1 (0.57) HRH1CCR3FPR2PROKR1KDM4E
SCHEMBL7556424 0.72 HRH1 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946478-B2 Compounds ASTRAZENECA AB (SE) 2005-09-20 US claimed