SCHEMBL9968680

SCHEMBL9968680

CNC(=O)C1CCN(CCCOc2ccc(C)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.66
HRH3 Q9Y5N1 7/20 0.57
KCNH2 Q12809 2/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HRH2 P25021 3/20 0.52
HRH1 P35367 3/20 0.52
MAOB P27338 1/20 0.51

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
SCHEMBL20234772 0.81 KCNA5 (0.60) HRH3HRH2HRH1
SCHEMBL7135163 0.81 LTA4H (0.81) LTA4H
SCHEMBL25538081 0.80 HRH3 (0.63) HRH3HRH2HRH1MAOB
SCHEMBL7141718 0.80 LTA4H (1.00) LTA4H
SCHEMBL21207945 0.80 KMT2A (0.52) HRH3KCNH2MEN1KMT2A
SCHEMBL22639936 0.78 SIGMAR1 (0.76) HRH3KMT2AHRH2HRH1MAOB
SCHEMBL25540765 0.77 HRH3 (0.65) HRH3HRH2HRH1
SCHEMBL20230970 0.77 KCNA5 (0.59)
SCHEMBL20230973 0.77 HRH3 (0.54) LTA4HHRH3
SCHEMBL3589168 0.76 LTA4H (0.55) LTA4HHRH3KCNH2HRH2HRH1

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-1963276-B9 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2012-09-26 EP disclosed
EP-1963276-B1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2012-06-20 EP disclosed