SCHEMBL20177830

SCHEMBL20177830

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

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 10/20 0.71
FPR1 P21462 17/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 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
SCHEMBL20177483 0.95 FPR2 (0.79) FPR2FPR1MAPTSMN1; SMN2
SCHEMBL20177603 0.90 FPR2 (0.66) FPR2FPR1MAPTSMN1; SMN2EPHX2
SCHEMBL20177843 0.87 FPR2 (0.67) FPR2FPR1MAPTSMN1; SMN2
SCHEMBL20177545 0.86 FPR2 (0.66) FPR2FPR1MAPTSMN1; SMN2EPHX2
SCHEMBL20177479 0.86 FPR2 (0.79) FPR2FPR1EPHX2
SCHEMBL18264324 0.83 FPR2 (1.00) FPR2FPR1
SCHEMBL18264322 0.83 FPR2 (1.00) FPR2FPR1
SCHEMBL20177550 0.81 FPR2 (0.67) FPR2FPR1MAPTSMN1; SMN2
SCHEMBL20177796 0.81 FPR2 (0.82) FPR2FPR1MAPT
SCHEMBL20177523 0.78 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