SCHEMBL30965635

SCHEMBL30965635

COc1cc(N2CCC(CCN3CCC(NC(=O)OCc4ccccc4)CC3)CC2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.48
DRD2 P14416 4/20 0.46
HTR1A P08908 3/20 0.46
HTR2A P28223 1/20 0.46
POLB P06746 1/20 0.46
ACHE P22303 3/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
DRD3 P35462 3/20 0.43
DRD4 P21917 2/20 0.43
HTR2B P41595 2/20 0.43
GAA P10253 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SMPD3 Q9NY59 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FAAH O00519 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL30965559 0.92 CHRM4 (0.51) CHRM4DRD2HTR1AHTR2AACHE
SCHEMBL30965830 0.89 CHRM4 (0.49) CHRM4DRD2HTR1AHTR2AACHE
SCHEMBL30965749 0.87 CHRM4 (0.50) CHRM4DRD2HTR1AHTR2APOLB
SCHEMBL30965750 0.84 POLB (0.42) CHRM4POLBACHECA1CA2
SCHEMBL30965693 0.83 HTR1A (0.44) CHRM4DRD2HTR1AHTR2AACHE
SCHEMBL30965686 0.83 CHRM4 (0.53) CHRM4DRD2HTR1AHTR2AGAA
SCHEMBL30965733 0.82 CHRM4 (0.54) CHRM4DRD2HTR1AHTR2AGAA
SCHEMBL30965580 0.82 CHRM4 (0.43) CHRM4DRD2HTR1AHTR2AACHE
SCHEMBL30965765 0.78 MAPT (0.44) CHRM4DRD2HTR1AHTR2APOLB
SCHEMBL30965560 0.77 CHRM4 (0.59) CHRM4DRD2HTR1AHTR2ADRD3

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-4658658-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2025-12-10 EP disclosed
WO-2024162828-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2024-08-08 WO disclosed