SCHEMBL20177603

SCHEMBL20177603

O=C(Nc1cccc(F)c1)N[C@@H]1C2=NOCCN2C[C@H]1c1c(F)cc(Cl)cc1F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.66
FPR1 P21462 3/20 0.45
KMT2A Q03164 6/20 0.42
RAB9A P51151 5/20 0.42
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.40
EPHX2 P34913 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
USP2 O75604 1/20 0.39
HPGD P15428 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
SCHEMBL20177483 0.91 FPR2 (0.79) FPR2FPR1SMN1; SMN2MAPT
SCHEMBL20177830 0.90 FPR2 (0.71) FPR2FPR1SMN1; SMN2MAPTEPHX2
SCHEMBL20177843 0.83 FPR2 (0.67) FPR2FPR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL20177479 0.81 FPR2 (0.79) FPR2FPR1GAAEPHX2
SCHEMBL18264322 0.79 FPR2 (1.00) FPR2FPR1
SCHEMBL18264324 0.79 FPR2 (1.00) FPR2FPR1
SCHEMBL20177545 0.79 FPR2 (0.66) FPR2FPR1SMN1; SMN2GAAMAPT
SCHEMBL20177550 0.78 FPR2 (0.67) FPR2FPR1KMT2ARAB9AMEN1
SCHEMBL20177796 0.77 FPR2 (0.82) FPR2FPR1ALDH1A1MAPT
SCHEMBL20177523 0.76 FPR2 (0.67) FPR2FPR1EPHX2

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