SCHEMBL20177479

SCHEMBL20177479

O=C(Nc1ccc(F)cc1)N[C@@H]1C2=NOCCN2C[C@H]1c1c(F)cc(Br)cc1F

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 12/20 0.79
FPR1 P21462 8/20 0.43
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
PIK3CG P48736 2/20 0.38
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL20177483 0.91 FPR2 (0.79) FPR2FPR1PIK3CAMTORPIK3CG
SCHEMBL20177523 0.90 FPR2 (0.67) FPR2FPR1PIK3CAMTORPIK3CG
SCHEMBL18264324 0.88 FPR2 (1.00) FPR2FPR1
SCHEMBL18264322 0.88 FPR2 (1.00) FPR2FPR1
SCHEMBL20177811 0.88 FPR2 (0.66) FPR2FPR1PIK3CAMTORPIK3CG
SCHEMBL20177796 0.86 FPR2 (0.82) FPR2FPR1
SCHEMBL20177830 0.86 FPR2 (0.71) FPR2FPR1EPHX2
SCHEMBL20177843 0.83 FPR2 (0.67) FPR2FPR1
SCHEMBL20177550 0.83 FPR2 (0.67) FPR2FPR1PIK3CAMTORPIK3CG
SCHEMBL20177545 0.82 FPR2 (0.66) FPR2FPR1PIK3CAMTORPIK3CG

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