SCHEMBL20274162

SCHEMBL20274162

OCC(=S)N1CCN(CC2Cc3cc(F)ccc3O2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.49
HRH4 Q9H3N8 1/20 0.49
ABCB1 P08183 1/20 0.39
DRD2 P14416 2/20 0.37
LTA4H P09960 1/20 0.37
HTR1A P08908 2/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
MLNR O43193 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
KCNE1 P15382 1/20 0.33
CNR1 P21554 1/20 0.33
SLC6A2 P23975 1/20 0.33
NPY1R P25929 1/20 0.33
HTR2A P28223 1/20 0.33

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 0.86 HRH3 (0.49) HRH3HRH4ABCB1DRD2LTA4H
SCHEMBL15707813 0.81 HRH3 (0.51) HRH3HRH4ABCB1DRD2LTA4H
SCHEMBL20274145 0.78 HRH3 (0.56) HRH3HRH4ABCB1DRD2LTA4H
SCHEMBL15707823 0.78 HRH3 (0.67) HRH3HRH4ABCB1DRD2SIGMAR1
SCHEMBL8020106 0.76 SIGMAR1 (0.59) HRH3HRH4ABCB1DRD2HTR1A
SCHEMBL20274126 0.74 HRH3 (0.44) HRH3HRH4ABCB1DRD2LTA4H
SCHEMBL9377623 0.74 HRH3 (0.43) HRH3HRH4DRD2HTR1AADRA2A
SCHEMBL15740462 0.73 HRH3 (0.50) HRH3HRH4ABCB1DRD2HTR1A
SCHEMBL20274150 0.72 HRH3 (0.68) HRH3HRH4LTA4HADRA2ACHRM1
SCHEMBL20274171 0.72 HRH3 (0.49) HRH3HRH4LTA4HHTR1AADRA2A

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