SCHEMBL20177554

SCHEMBL20177554

COc1cc(F)c([C@@H]2CN/C(=N\OCCOS(C)(=O)=O)[C@H]2NC(=O)OCc2ccccc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 17/20 0.46
FPR1 P21462 16/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
KCNQ2 O43526 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL29434386 0.90 FPR2 (0.49) FPR2FPR1CA1CA2ACHE
SCHEMBL21173992 0.90 FPR2 (0.49) FPR2FPR1CA1CA2ACHE
SCHEMBL16785416 0.90 FPR2 (0.49) FPR2FPR1CA1CA2ACHE
SCHEMBL18270466 0.90 FPR2 (0.48) FPR2FPR1CA1CA2ACHE
SCHEMBL20398755 0.88 FPR2 (0.49) FPR2FPR1CA1CA2ACHE
SCHEMBL29434477 0.87 FPR2 (0.55) FPR2FPR1CA1CA2ACHE
SCHEMBL16785415 0.87 FPR2 (0.55) FPR2FPR1CA1CA2ACHE
SCHEMBL20177494 0.86 FPR2 (0.52) FPR2FPR1CA1CA2ACHE
SCHEMBL18264317 0.85 FPR2 (0.47) FPR2FPR1CA1CA2ACHE
SCHEMBL18264321 0.85 FPR2 (0.47) FPR2FPR1CA1CA2ACHE

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