SCHEMBL20177815

SCHEMBL20177815

CCS(=O)(=O)OCCO/N=C1\NC[C@@H](c2c(F)cc(Cl)cc2F)[C@@H]1NC(=O)OCc1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 16/20 0.39
FPR1 P21462 13/20 0.39
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.36
NAAA Q02083 2/20 0.36
ASAH1 Q13510 1/20 0.36
KCNQ2 O43526 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
SCHEMBL20177581 0.94 FPR2 (0.40) FPR2FPR1PKMHTTSMN1; SMN2
SCHEMBL20177727 0.93 FPR2 (0.39) FPR2FPR1PKMHTTSMN1; SMN2
SCHEMBL20177905 0.92 FPR2 (0.42) FPR2FPR1PKMHTTSMN1; SMN2
SCHEMBL20177513 0.91 FPR1 (0.37) FPR2FPR1PKMHTTSMN1; SMN2
SCHEMBL20177900 0.90 FPR2 (0.42) FPR2FPR1CYP3A4NAAAASAH1
SCHEMBL20177748 0.88 PKM (0.37) FPR2FPR1PKMHTTSMN1; SMN2
SCHEMBL20177941 0.88 FPR1 (0.43) FPR2FPR1PKMHTTSMN1; SMN2
SCHEMBL20177684 0.84 FPR2 (0.43) FPR2FPR1PKMHTTSMN1; SMN2
SCHEMBL20177554 0.83 FPR2 (0.46) FPR2FPR1CYP3A4KCNQ2
SCHEMBL20177506 0.82 FPR2 (0.44) FPR2FPR1CYP3A4NAAAASAH1

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