SCHEMBL30135909

SCHEMBL30135909

COC(=O)C1CCN(c2ccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc2F)CC1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 10/20 0.40
CYP8B1 Q9UNU6 1/20 0.38
GRM5 P41594 2/20 0.37
RORC P51449 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
NPY2R P49146 1/20 0.35
CHRM4 P08173 1/20 0.35
IDH1 O75874 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL25034787 1.00 FFAR4 (0.40) FFAR4CYP8B1GRM5RORCCHRM2
SCHEMBL25819461 0.93 FFAR4 (0.42) FFAR4CYP8B1RORCCHRM2CHRM5
SCHEMBL30475467 0.85 FFAR4 (0.39) FFAR4CYP8B1GRM5NPY2R
SCHEMBL25034789 0.85 FFAR4 (0.39) FFAR4CYP8B1GRM5NPY2R
SCHEMBL25419978 0.83 FFAR4 (0.43) FFAR4GRM5NPY2RCHRM4
SCHEMBL29013177 0.83 FFAR4 (0.47) FFAR4GRM5NPY2RCHRM4
SCHEMBL27225001 0.82 MAPT (0.42) FFAR4GRM5CHRM2CHRM5CHRM1
SCHEMBL25029419 0.82 FFAR4 (0.46) FFAR4GRM5NPY2RCHRM4
SCHEMBL30136082 0.82 LTA4H (0.41) FFAR4GRM5CNR1
SCHEMBL25938922 0.82 LTA4H (0.41) FFAR4GRM5CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116322700-B Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-08-20 CN disclosed
CN-116322700-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-23 CN disclosed
EP-4157849-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2023-04-05 EP disclosed
WO-2023018238-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed