SCHEMBL20177873

SCHEMBL20177873

COC(=O)[C@@H]1C(=O)NC[C@H]1c1ccc(Br)cc1F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 9/20 0.44
FPR1 P21462 8/20 0.44
KDM1A O60341 2/20 0.43
KDM1B Q8NB78 1/20 0.43
F2RL1 P55085 5/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL20996252 0.85 FPR2 (0.60) FPR2FPR1
SCHEMBL18579283 0.85 FPR2 (0.60) FPR2FPR1
SCHEMBL29434354 0.85 FPR2 (0.60) FPR2FPR1
SCHEMBL16785322 0.85 FPR2 (0.60) FPR2FPR1
SCHEMBL20177726 0.85 FPR2 (0.54) FPR2FPR1PDE4APDE4BPDE4C
SCHEMBL20177644 0.85 KDM1A (0.47) FPR2FPR1KDM1AKDM1BF2RL1
SCHEMBL20177775 0.84 FPR2 (0.49) FPR2FPR1PDE4APDE4BPDE4C
SCHEMBL20177605 0.79 F2RL1 (0.53) FPR1F2RL1PDE4APDE4BPDE4C
SCHEMBL18578803 0.79 FPR2 (0.58) FPR2FPR1PDE4APDE4BPDE4C
SCHEMBL16785324 0.79 FPR2 (0.58) 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