SCHEMBL20177591

SCHEMBL20177591

COC(=O)[C@@H]1C(=O)NC[C@H]1c1cc(F)c(Cl)cc1F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 11/20 0.43
FPR1 P21462 10/20 0.43
KDM1A O60341 2/20 0.41
KDM1B Q8NB78 1/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CYP3A4 P08684 1/20 0.37

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
SCHEMBL18578803 0.85 FPR2 (0.58) FPR2FPR1PDE4APDE4BPDE4C
SCHEMBL29434310 0.85 FPR2 (0.58) FPR2FPR1PDE4APDE4BPDE4C
SCHEMBL16785324 0.85 FPR2 (0.58) FPR2FPR1PDE4APDE4BPDE4C
SCHEMBL20177580 0.84 KDM1A (0.45) FPR2FPR1KDM1AKDM1B
SCHEMBL20177726 0.84 FPR2 (0.54) FPR2FPR1PDE4APDE4BPDE4C
SCHEMBL18106521 0.81 FPR2 (0.40) FPR2FPR1PDE4APDE4BPDE4C
SCHEMBL18579446 0.81 FPR2 (0.40) FPR2FPR1PDE4APDE4BPDE4C
SCHEMBL19865816 0.80 FPR2 (0.40) FPR2FPR1PDE4APDE4BPDE4C
SCHEMBL18106584 0.80 FPR2 (0.40) FPR2FPR1PDE4APDE4BPDE4C
SCHEMBL18106583 0.80 FPR2 (0.40) FPR2FPR1PDE4APDE4BPDE4C

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