SCHEMBL30135873

SCHEMBL30135873

CCCCOC(=O)N1CCC2(CC1)CN(c1ccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc1F)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.40
OPRK1 P41145 1/20 0.40
ENPP2 Q13822 1/20 0.38
ATXN2 Q99700 1/20 0.38
CNR2 P34972 2/20 0.38
PTGDR2 Q9Y5Y4 7/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GPR119 Q8TDV5 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
SCHEMBL30643706 0.91 MAPT (0.45) OPRD1OPRK1CNR2PTGDR2ALDH1A1
SCHEMBL30136015 0.87 PARP1 (0.43) OPRD1OPRK1CNR2GPR119PRMT5
SCHEMBL25940751 0.87 PARP1 (0.43) OPRD1OPRK1CNR2GPR119PRMT5
SCHEMBL30830739 0.83 PARP1 (0.42) OPRD1OPRK1GPR119PRMT5
SCHEMBL25035220 0.82 CYP11B2 (0.42) GPR119PRMT5
SCHEMBL31018307 0.82 CYP11B2 (0.42) GPR119PRMT5
SCHEMBL25822642 0.82 MAPT (0.46) CNR2PTGDR2ALDH1A1HSD17B10HPGD
SCHEMBL31585800 0.82 OPRD1 (0.38) OPRD1OPRK1ENPP2ATXN2PTGDR2
SCHEMBL25935411 0.80 PARP1 (0.43) OPRD1OPRK1GPR119PRMT5
SCHEMBL30135952 0.79 P2RY12 (0.42) OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4157850-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2023-04-05 EP disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023018236-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed