SCHEMBL20274189

SCHEMBL20274189

Cc1c(CN2CCN(C(=O)CO)CC2)oc2ccc(C(F)(F)F)cc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
MDH1 P40925 1/20 0.40
MDH2 P40926 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 1/20 0.39
TBXAS1 P24557 1/20 0.39
TP53 P04637 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
POLB P06746 1/20 0.38
AKR1B1 P15121 1/20 0.37
MCHR1 Q99705 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SRPK1 Q96SB4 1/20 0.37

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
SCHEMBL20274170 0.87 L3MBTL1 (0.44) L3MBTL1MDH1MDH2MEN1KMT2A
SCHEMBL20274133 0.77 MAOA (0.51) L3MBTL1MDH1MDH2MAOASIGMAR1
SCHEMBL20274177 0.75 AKR1B1 (0.48) L3MBTL1MDH1MDH2MEN1KMT2A
SCHEMBL15727607 0.75 MAPK1 (0.37) ALDH1A1
SCHEMBL20274213 0.73 MAOA (0.47) L3MBTL1MAOAHRH3
SCHEMBL20274136 0.73 MEN1 (0.42) MEN1KMT2A
SCHEMBL20274144 0.72 MDH1 (0.38) L3MBTL1MDH1MDH2MEN1KMT2A
SCHEMBL20274200 0.72 HRH3 (0.40) L3MBTL1HRH3
SCHEMBL20274140 0.72 ALDH1A1 (0.48) KMT2AKDM4EALDH1A1TBXAS1TP53
SCHEMBL20274192 0.72 HRH3 (0.45) L3MBTL1MDH1MDH2MAOASIGMAR1

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