SCHEMBL20177550

SCHEMBL20177550

O=C(Nc1ccc(F)cc1)N[C@@H]1C2=NOCCN2C[C@H]1c1cc(F)c(Cl)cc1F

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 11/20 0.67
FPR1 P21462 7/20 0.43
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
MCL1 Q07820 1/20 0.37
RECQL P46063 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SSTR3 P32745 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
SCHEMBL20177843 0.89 FPR2 (0.67) FPR2FPR1ALDH1A1KDM4EMAPT
SCHEMBL20177483 0.86 FPR2 (0.79) FPR2FPR1MAPTSMN1; SMN2PIK3CA
SCHEMBL20177523 0.86 FPR2 (0.67) FPR2FPR1PIK3CAMTORPIK3CG
SCHEMBL20177545 0.83 FPR2 (0.66) FPR2FPR1LMNAMAPTHTT
SCHEMBL20177479 0.83 FPR2 (0.79) FPR2FPR1RECQLPIK3CAMTOR
SCHEMBL20177830 0.81 FPR2 (0.71) FPR2FPR1MAPTSMN1; SMN2
SCHEMBL18264322 0.80 FPR2 (1.00) FPR2FPR1
SCHEMBL18264324 0.80 FPR2 (1.00) FPR2FPR1
SCHEMBL20177811 0.80 FPR2 (0.66) FPR2FPR1LMNAHTTRECQL
SCHEMBL20177796 0.78 FPR2 (0.82) FPR2FPR1ALDH1A1MAPT

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