SCHEMBL20274174

SCHEMBL20274174

CC(C)COC(=O)CO[C@H]1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
YTHDC1 Q96MU7 1/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
POLB P06746 3/20 0.36
SLC6A3 Q01959 3/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CCR5 P51681 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL25373812 0.88 YTHDC1 (0.44) YTHDC1ALDH1A1L3MBTL1POLBLMNA
SCHEMBL25373818 0.88 YTHDC1 (0.44) YTHDC1ALDH1A1L3MBTL1POLBLMNA
SCHEMBL17802169 0.83 YTHDC1 (0.44) SLC6A2SLC6A4MEN1KMT2AYTHDC1
SCHEMBL17802168 0.83 YTHDC1 (0.44) SLC6A2SLC6A4MEN1KMT2AYTHDC1
SCHEMBL17802181 0.81 YTHDC1 (0.47) SLC6A2SLC6A4MEN1KMT2AYTHDC1
SCHEMBL19328314 0.81 YTHDC1 (0.47) SLC6A2SLC6A4MEN1KMT2AYTHDC1
SCHEMBL15740441 0.81 YTHDC1 (0.49) SLC6A2SLC6A4MEN1KMT2AYTHDC1
SCHEMBL8894747 0.81 YTHDC1 (0.49) SLC6A2SLC6A4MEN1KMT2AYTHDC1
SCHEMBL15707864 0.81 AKT1 (0.43) SLC6A2SLC6A4MEN1KMT2AYTHDC1
SCHEMBL24126275 0.81 AKT1 (0.43) SLC6A2SLC6A4MEN1KMT2AYTHDC1

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