SCHEMBL20274145

SCHEMBL20274145

O=C(CO)N1CCN(CC2Cc3cc(-c4ccc(F)cc4)ccc3O2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.56
LTA4H P09960 1/20 0.48
HRH4 Q9H3N8 1/20 0.46
ABCB1 P08183 2/20 0.41
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35

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
SCHEMBL15750188 0.91 HRH3 (0.49) HRH3LTA4HHRH4ABCB1DRD2
SCHEMBL20274150 0.82 HRH3 (0.68) HRH3LTA4HHRH4
SCHEMBL20274171 0.82 HRH3 (0.49) HRH3LTA4HHRH4
SCHEMBL20274114 0.82 HRH3 (0.56) HRH3LTA4HHRH4
SCHEMBL15707813 0.81 HRH3 (0.51) HRH3LTA4HHRH4ABCB1DRD2
SCHEMBL20274110 0.79 HRH3 (0.60) HRH3LTA4HHRH4ABCB1
SCHEMBL20274162 0.78 HRH3 (0.49) HRH3LTA4HHRH4ABCB1DRD2
SCHEMBL20274126 0.75 HRH3 (0.44) HRH3LTA4HHRH4ABCB1DRD2
SCHEMBL15749956 0.73 MEN1 (0.52) HRH3LTA4HHRH4
SCHEMBL15708224 0.73 HRH3 (0.68) HRH3LTA4HHRH4

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-3428162-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-05 EP disclosed
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 EP disclosed