SCHEMBL20177900

SCHEMBL20177900

COc1ccc(COC(=O)N[C@@H]2/C(=N/OCCO)NC[C@H]2c2c(F)cc(Cl)cc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 17/20 0.42
FPR1 P21462 13/20 0.42
CYP3A4 P08684 1/20 0.39
NAAA Q02083 2/20 0.37
ASAH1 Q13510 1/20 0.37
KCNQ2 O43526 1/20 0.36

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
SCHEMBL20177684 0.94 FPR2 (0.43) FPR2FPR1CYP3A4NAAAASAH1
SCHEMBL20177852 0.92 FPR2 (0.42) FPR2FPR1CYP3A4NAAAASAH1
SCHEMBL20177506 0.91 FPR2 (0.44) FPR2FPR1CYP3A4NAAAASAH1
SCHEMBL20177574 0.91 FPR1 (0.39) FPR2FPR1NAAAASAH1KCNQ2
SCHEMBL20177815 0.90 FPR2 (0.39) FPR2FPR1CYP3A4NAAAASAH1
SCHEMBL29434386 0.89 FPR2 (0.49) FPR2FPR1CYP3A4KCNQ2
SCHEMBL21173992 0.89 FPR2 (0.49) FPR2FPR1CYP3A4KCNQ2
SCHEMBL16785416 0.89 FPR2 (0.49) FPR2FPR1CYP3A4KCNQ2
SCHEMBL20177734 0.87 KCNQ2 (0.37) FPR2FPR1NAAAASAH1KCNQ2
SCHEMBL20177940 0.87 FPR1 (0.47) FPR2FPR1NAAAASAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018092916-A1 NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE 宇部興産株式会社 2018-05-24 WO disclosed