SCHEMBL20325432

SCHEMBL20325432

CN[C@H]1C[C@@H](Oc2cc(F)cc(CCC(=O)I)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
ENPP2 Q13822 1/20 0.32
BCL2A1 Q16548 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
FFAR4 Q5NUL3 6/20 0.31
FFAR1 O14842 4/20 0.30
DGAT1 O75907 1/20 0.30
PCNA P12004 1/20 0.30
CHRM3 P20309 1/20 0.30
APOL1 O14791 1/20 0.30

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
SCHEMBL18551622 0.91 CYP4F2 (0.38) EPHX2CYP4F2CYP4A11OPRM1OPRK1
SCHEMBL18611784 0.91 CYP4F2 (0.38) EPHX2CYP4F2CYP4A11OPRM1OPRK1
SCHEMBL22297391 0.91 CYP4F2 (0.38) EPHX2CYP4F2CYP4A11OPRM1OPRK1
SCHEMBL20324957 0.90 EPHX2 (0.35) EPHX2CYP4F2CYP4A11OPRM1OPRK1
SCHEMBL20443465 0.88 CYP4F2 (0.36) EPHX2CYP4F2CYP4A11OPRM1OPRK1
SCHEMBL21898997 0.88 EPHX2 (0.36) EPHX2CYP4F2CYP4A11OPRM1OPRK1
SCHEMBL20234839 0.88 CYP4F2 (0.36) EPHX2CYP4F2CYP4A11OPRM1OPRK1
SCHEMBL21899517 0.86 EPHX2 (0.33) EPHX2CYP4F2CYP4A11OPRM1OPRK1
SCHEMBL20442680 0.84 SLC6A2 (0.33) EPHX2CYP4F2CYP4A11OPRM1OPRK1
SCHEMBL22150460 0.81 SLC6A2 (0.35) EPHX2CYP4F2CYP4A11OPRM1OPRK1

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
WO-2018140809-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-08-02 WO disclosed
WO-2018119441-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-06-28 WO disclosed
WO-2018119357-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE Arvinas, Inc. (US) 2018-06-28 WO disclosed