SCHEMBL20274113

SCHEMBL20274113

O=C(CO)N1CCN(Cc2cc3c(F)c(F)ccc3o2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.36
DPP4 P27487 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP3A4 P08684 1/20 0.35
LTA4H P09960 1/20 0.35
HTR2B P41595 2/20 0.34
AKR1C3 P42330 1/20 0.34
HTR1A P08908 1/20 0.34
MTNR1B P49286 1/20 0.34
MEN1 O00255 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL20274152 0.80 HTR2B (0.43) TSHRKMT2ACYP2D6CYP2C9ALOX15
SCHEMBL20274217 0.79 HTR2B (0.39) TSHRKMT2ADPP4CYP2D6CYP2C9
SCHEMBL20274139 0.77 HRH4 (0.47) KDM4EALDH1A1TSHRKMT2ALMNA
SCHEMBL20274204 0.77 EPHX2 (0.40) SIGMAR1KDM4EALDH1A1TSHRKMT2A
SCHEMBL20651225 0.75 HTR2B (0.43) KDM4EALDH1A1KMT2ALMNAHTT
SCHEMBL20274216 0.75 HTR2B (0.46) KDM4EALDH1A1TSHRKMT2ALMNA
SCHEMBL20274133 0.74 MAOA (0.51) SIGMAR1HTR2BHTR1A
SCHEMBL23335850 0.73 PDE7B (0.40) KDM4EALDH1A1TSHRCYP2D6CYP2C9
SCHEMBL20274136 0.72 MEN1 (0.42) TSHRKMT2ACYP2D6CYP2C9ALOX15
SCHEMBL20274183 0.72 HTR2B (0.54) KDM4EALDH1A1KMT2ALMNAHTR2B

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