SCHEMBL20177545

SCHEMBL20177545

O=C(Nc1ccc(F)cc1)N[C@@H]1C2=NOCCN2C[C@H]1c1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 12/20 0.66
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FPR1 P21462 6/20 0.41
EPHX2 P34913 1/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
TP53 P04637 1/20 0.41
CNR1 P21554 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
USP30 Q70CQ3 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL20177811 0.90 FPR2 (0.66) FPR2FPR1EPHX2PIK3CAMTOR
SCHEMBL20177483 0.88 FPR2 (0.79) FPR2MAPTSMN1; SMN2FPR1PIK3CA
SCHEMBL20177843 0.87 FPR2 (0.67) FPR2MAPTSMN1; SMN2FPR1
SCHEMBL20177830 0.86 FPR2 (0.71) FPR2MAPTSMN1; SMN2FPR1EPHX2
SCHEMBL20177550 0.83 FPR2 (0.67) FPR2MAPTSMN1; SMN2FPR1PIK3CA
SCHEMBL20177547 0.83 FPR2 (0.62) FPR2MAPTSMN1; SMN2FPR1PIK3CA
SCHEMBL20177479 0.82 FPR2 (0.79) FPR2FPR1EPHX2PIK3CAMTOR
SCHEMBL20177523 0.80 FPR2 (0.67) FPR2FPR1EPHX2PIK3CAMTOR
SCHEMBL18264322 0.80 FPR2 (1.00) FPR2FPR1
SCHEMBL18264324 0.80 FPR2 (1.00) FPR2FPR1

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