SCHEMBL30135952

SCHEMBL30135952

CCCCOC(=O)N1CCN(c2cccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 17/20 0.42
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CHRM4 P08173 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40

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 0.86 MAPT (0.45) P2RY12OPRD1OPRK1
SCHEMBL25034770 0.85 GPR119 (0.50)
SCHEMBL30830960 0.85 GPR119 (0.50)
SCHEMBL30066310 0.84 P2RY12 (0.41) P2RY12SIGMAR1OPRD1OPRK1
SCHEMBL30066441 0.82 P2RY12 (0.43) P2RY12TMEM97SIGMAR1CHRM4
SCHEMBL30066289 0.82 P2RY12 (0.43) P2RY12TMEM97SIGMAR1CHRM4
SCHEMBL30066338 0.81 TMEM97 (0.47) TMEM97SIGMAR1CHRM4
SCHEMBL30441390 0.81 TMEM97 (0.47) TMEM97SIGMAR1
SCHEMBL31127679 0.81 PRMT5 (0.46) P2RY12CHRM4OPRD1OPRK1
SCHEMBL30965789 0.80 HTT (0.42)

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-4157849-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-2023018238-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed