SCHEMBL29013167

SCHEMBL29013167

NC(=O)OC1CCN(CC2CN(c3ccc(-c4ccc(OCc5ccccc5)nc4OCc4ccccc4)cc3F)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.40
FEN1 P39748 2/20 0.35
GRM5 P41594 2/20 0.34
RPS6KB1 P23443 1/20 0.33
CNR1 P21554 1/20 0.33
IDH1 O75874 3/20 0.33
MET P08581 1/20 0.33
S1PR5 Q9H228 1/20 0.33
CHRM4 P08173 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
NPY2R P49146 1/20 0.32

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
SCHEMBL25335312 0.87 IDH1 (0.39) FFAR4CNR1IDH1
SCHEMBL30135967 0.85 CTSL (0.39) FFAR4CNR1IDH1CHRM4
SCHEMBL25822405 0.79 FFAR4 (0.60) FFAR4
SCHEMBL29013177 0.79 FFAR4 (0.47) FFAR4FEN1GRM5S1PR5CHRM4
SCHEMBL26126364 0.79 FFAR4 (0.43) FFAR4FEN1GRM5NPY2R
SCHEMBL25031334 0.78 FFAR4 (0.47) FFAR4FEN1GRM5
SCHEMBL25333606 0.78 FFAR4 (0.50) FFAR4GRM5CHRM4
SCHEMBL29013211 0.78 FFAR4 (0.39) FFAR4FEN1GRM5RPS6KB1CNR1
SCHEMBL25935098 0.77 SMPD3 (0.44) FFAR4CNR1IDH1CHRM4
SCHEMBL29013165 0.77 GRM5 (0.48) FFAR4GRM5NPY2R

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