SCHEMBL20177506

SCHEMBL20177506

CCOc1cc(F)c([C@@H]2CN/C(=N\OCCO)[C@H]2NC(=O)OCc2ccc(OC)cc2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 18/20 0.44
FPR1 P21462 15/20 0.42
NAAA Q02083 1/20 0.40
ASAH1 Q13510 1/20 0.40
CYP3A4 P08684 1/20 0.36
KCNQ2 O43526 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
SCHEMBL20177684 0.92 FPR2 (0.43) FPR2FPR1NAAAASAH1CYP3A4
SCHEMBL20177905 0.91 FPR2 (0.42) FPR2FPR1NAAAASAH1CYP3A4
SCHEMBL20177852 0.91 FPR2 (0.42) FPR2FPR1NAAAASAH1CYP3A4
SCHEMBL20177900 0.91 FPR2 (0.42) FPR2FPR1NAAAASAH1CYP3A4
SCHEMBL16785416 0.90 FPR2 (0.49) FPR2FPR1CYP3A4KCNQ2
SCHEMBL29434386 0.90 FPR2 (0.49) FPR2FPR1CYP3A4KCNQ2
SCHEMBL21173992 0.90 FPR2 (0.49) FPR2FPR1CYP3A4KCNQ2
SCHEMBL20177655 0.84 FPR2 (0.61) FPR2FPR1NAAAASAH1CYP3A4
SCHEMBL20177581 0.84 FPR2 (0.40) FPR2FPR1NAAAASAH1CYP3A4
SCHEMBL20177901 0.83 FPR2 (0.49) FPR2FPR1NAAAASAH1CYP3A4

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