SCHEMBL19721600

SCHEMBL19721600

O=C1CN(C(=O)C2CCCCC2)CCN1CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.51
ALDH1A1 P00352 3/20 0.50
BLM P54132 2/20 0.50
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 2/20 0.49
KEAP1 Q14145 1/20 0.49
HPGD P15428 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.45
ABCB11 O95342 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL10966470 0.84 ALDH1A1 (0.52) ALDH1A1BLMKDM4EKMT2AKEAP1
SCHEMBL9835140 0.79 ALDH1A1 (0.57) ALDH1A1BLMKDM4EKMT2AKEAP1
SCHEMBL10966952 0.79 KDM4E (0.47) ALDH1A1BLMKDM4EKMT2AKEAP1
SCHEMBL10994286 0.77 ALDH1A1 (0.55) ALDH1A1BLMKMT2AHPGDHTT
SCHEMBL9835390 0.74 KDM4E (0.54) ALDH1A1BLMKDM4EKMT2AKEAP1
SCHEMBL13150784 0.73 MEN1 (0.64) ALDH1A1BLMKMT2ATSHRMEN1
SCHEMBL8894163 0.73 P2RX3 (0.50) MCHR1ALDH1A1MAPK1
SCHEMBL28544382 0.73 HPGD (0.46) ALDH1A1BLMKDM4EKMT2AHPGD
SCHEMBL10947749 0.72 KMT2A (0.76) ALDH1A1KDM4EKMT2AHPGDTSHR
SCHEMBL10993438 0.72 HTT (0.45) ALDH1A1BLMKDM4EKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3257852-A1 PREPARATION METHOD FOR PRAZIQUANTEL AND INTERMEDIATE COMPOUNDS THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2017-12-20 EP disclosed