SCHEMBL20177879

SCHEMBL20177879

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 7/20 0.39
FPR1 P21462 7/20 0.39
KCNQ2 O43526 1/20 0.37
NAAA Q02083 4/20 0.36
ASAH1 Q13510 1/20 0.36
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL20177574 0.91 FPR1 (0.39) FPR2FPR1KCNQ2NAAAASAH1
SCHEMBL20177852 0.91 FPR2 (0.42) FPR2FPR1KCNQ2NAAAASAH1
SCHEMBL20177734 0.88 KCNQ2 (0.37) FPR2FPR1KCNQ2NAAAASAH1
SCHEMBL20177684 0.85 FPR2 (0.43) FPR2FPR1KCNQ2NAAAASAH1
SCHEMBL20177599 0.84 FPR2 (0.54) FPR2FPR1NAAAASAH1
SCHEMBL20177900 0.84 FPR2 (0.42) FPR2FPR1KCNQ2NAAAASAH1
SCHEMBL20177669 0.83 FPR1 (0.43) FPR2FPR1KCNQ2NAAAASAH1
SCHEMBL20177506 0.83 FPR2 (0.44) FPR2FPR1KCNQ2NAAAASAH1
SCHEMBL21173992 0.81 FPR2 (0.49) FPR2FPR1KCNQ2CA1CA2
SCHEMBL16785416 0.81 FPR2 (0.49) FPR2FPR1KCNQ2CA1CA2

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