SCHEMBL20274133

SCHEMBL20274133

O=C(CO)N1CCN(Cc2cc3cc(C(F)(F)F)ccc3o2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.51
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PIM1 P11309 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43
HTR2B P41595 2/20 0.41
HTR1A P08908 1/20 0.41
OXTR P30559 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
MDH1 P40925 1/20 0.39
MDH2 P40926 1/20 0.39
SRPK1 Q96SB4 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
FAAH O00519 1/20 0.38

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
SCHEMBL20274192 0.91 HRH3 (0.45) MAOAPOLBNPSR1L3MBTL1HRH3
SCHEMBL20274213 0.91 MAOA (0.47) MAOAPIM1PIM2L3MBTL1HRH3
SCHEMBL15708019 0.90 MAOA (0.50) MAOAPOLBNPSR1PIM1PIM2
SCHEMBL20274152 0.85 HTR2B (0.43) HRH3HTR2BHTR1ACA2CA9
SCHEMBL20274139 0.82 HRH4 (0.47) POLBHRH3HTR2BHTR1ACA2
SCHEMBL20651225 0.82 HTR2B (0.43) HRH3HTR2BHTR1AOXTRCA2
SCHEMBL15750158 0.82 PIM1 (0.41) MAOAPOLBPIM1PIM2L3MBTL1
SCHEMBL23335840 0.81 PIM1 (0.56) PIM1PIM2HRH3
SCHEMBL20274177 0.80 AKR1B1 (0.48) MAOAL3MBTL1SIGMAR1MDH1MDH2
SCHEMBL20274217 0.80 HTR2B (0.39) HTR2BHTR1ACA2CA9

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