SCHEMBL29013207

SCHEMBL29013207

O=C(OCc1ccccc1)N1CCN(c2c(F)cc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.42
CNR2 P34972 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC1 Q13547 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DPP4 P27487 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
SCHEMBL25333871 0.92 FFAR4 (0.41)
SCHEMBL25935063 0.90 FFAR4 (0.44) PTGDR2MEN1KMT2ANPSR1HDAC1
SCHEMBL31639482 0.89 GPR119 (0.45)
SCHEMBL25822642 0.89 MAPT (0.46) PTGDR2CNR2MEN1KMT2ANPSR1
SCHEMBL27326706 0.85 CHRM4 (0.44) PTGDR2CNR2MEN1KMT2ANPSR1
SCHEMBL31333359 0.82 TMEM97 (0.43) PTGDR2CNR2NPSR1NPC1RAB9A
SCHEMBL25031024 0.81 FFAR4 (0.46)
SCHEMBL30643706 0.81 MAPT (0.45) PTGDR2CNR2MEN1KMT2ANPSR1
SCHEMBL29013165 0.80 GRM5 (0.48) MEN1KMT2ANPSR1NPC1SMN1; SMN2
SCHEMBL30965745 0.80 TRPC3 (0.42) PTGDR2CNR2NPC1RAB9ASMN1; SMN2

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
CN-116261458-B PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 CN disclosed