SCHEMBL20274192

SCHEMBL20274192

O=C(CO)N1CCN(Cc2cc3cc(-c4ccc(C(F)(F)F)cc4)ccc3o2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
MAOA P21397 1/20 0.43
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
MDH1 P40925 1/20 0.39
MDH2 P40926 1/20 0.39
FFAR1 O14842 1/20 0.39
P2RY14 Q15391 1/20 0.39
OXTR P30559 1/20 0.39

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
SCHEMBL20274133 0.91 MAOA (0.51) HRH3L3MBTL1MAOAPOLBNPSR1
SCHEMBL20274213 0.83 MAOA (0.47) HRH3L3MBTL1MAOA
SCHEMBL15708019 0.82 MAOA (0.50) HRH3L3MBTL1MAOAPOLBNPSR1
SCHEMBL20274152 0.81 HTR2B (0.43) HRH3
SCHEMBL20274139 0.79 HRH4 (0.47) HRH3POLB
SCHEMBL20651225 0.79 HTR2B (0.43) HRH3OXTR
SCHEMBL20274217 0.76 HTR2B (0.39)
SCHEMBL20274183 0.76 HTR2B (0.54) MAOA
SCHEMBL15727609 0.74 ENPP2 (0.36) HRH3NPSR1
SCHEMBL20274177 0.74 AKR1B1 (0.48) L3MBTL1MAOASIGMAR1MDH1MDH2

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