SCHEMBL7338804

SCHEMBL7338804

COC(CN(Cc1ccccc1)CC(OC)OC)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.43
CNR2 P34972 1/20 0.43
AOC3 Q16853 1/20 0.42
CALM1 P0DP23 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRK1 P41145 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 2/20 0.40
BCHE P06276 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
SCHEMBL9016852 0.91 TSHR (0.54) TSHRMAPK1ALDH1A1POLBCNR2
SCHEMBL5656109 0.82 CARM1 (0.48) TSHRALDH1A1POLBAOC3ADRA2B
SCHEMBL26135661 0.79 POLB (0.47) TSHRMAPK1ALDH1A1POLBNPC1
SCHEMBL14981206 0.78 TSHR (0.45) TSHRMAPK1ALDH1A1POLBCNR2
SCHEMBL4813700 0.78 HTR2A (0.35) TSHRMAPK1ALDH1A1POLBCNR2
SCHEMBL9511821 0.77 BCHE (0.51) TSHRALDH1A1CNR2AOC3ADRA2B
SCHEMBL9935996 0.76 CA1 (0.54) ALDH1A1NPC1KDM4EGAA
Hydrochloric Acid SCHEMBL7013964 0.76 POLB (0.47) TSHRMAPK1ALDH1A1POLBCNR2
SCHEMBL8281045 0.74 TSHR (0.45) TSHRMAPK1ALDH1A1POLBCNR2
SCHEMBL5369171 0.74 POLB (0.60) TSHRMAPK1ALDH1A1POLBNPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025243322-A1 A PROCESS FOR PREPARATION OF PRAZIQUANTEL AND INTERMEDIATES THEREFOR ALIVIRA ANIMAL HEALTH LIMITED (IN) 2025-11-27 WO disclosed
EP-0558923-B1 Diazabicyclo derivatives as 5-HT3 antagonists NISSHIN FLOUR MILLING CO (JP) 2000-05-24 EP disclosed
US-5344831-A Antiemetics for treatment of nausea from chemotherapy NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-09-06 US disclosed
EP-0558923-A1 Diazabicyclo derivatives as 5-HT3 antagonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-09-08 EP disclosed