SCHEMBL20177574

SCHEMBL20177574

COc1ccc(COC(=O)N[C@@H]2/C(=N/OCCO)NC[C@H]2c2ccc(Cl)cc2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 9/20 0.39
FPR2 P25090 8/20 0.39
GPBAR1 Q8TDU6 1/20 0.37
KCNQ2 O43526 1/20 0.37
NAAA Q02083 2/20 0.36
ASAH1 Q13510 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL20177879 0.91 FPR2 (0.39) FPR1FPR2KCNQ2NAAAASAH1
SCHEMBL20177734 0.91 KCNQ2 (0.37) FPR1FPR2KCNQ2NAAAASAH1
SCHEMBL20177900 0.91 FPR2 (0.42) FPR1FPR2KCNQ2NAAAASAH1
SCHEMBL20177513 0.90 FPR1 (0.37) FPR1FPR2GPBAR1KCNQ2NAAA
SCHEMBL20177940 0.87 FPR1 (0.47) FPR1FPR2GPBAR1NAAAASAH1
SCHEMBL20177684 0.85 FPR2 (0.43) FPR1FPR2KCNQ2NAAAASAH1
SCHEMBL20177911 0.84 FPR2 (0.55) FPR1FPR2NAAAASAH1
SCHEMBL20177852 0.84 FPR2 (0.42) FPR1FPR2KCNQ2NAAAASAH1
SCHEMBL20177914 0.83 FPR1 (0.43) FPR1FPR2GPBAR1KCNQ2NAAA
SCHEMBL20177506 0.83 FPR2 (0.44) FPR1FPR2KCNQ2NAAAASAH1

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