SCHEMBL20177796

SCHEMBL20177796

CCOc1cc(F)c([C@@H]2CN3CCON=C3[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 15/20 0.82
FPR1 P21462 13/20 0.47
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL18264322 0.91 FPR2 (1.00) FPR2FPR1
SCHEMBL18264324 0.91 FPR2 (1.00) FPR2FPR1
SCHEMBL20177479 0.86 FPR2 (0.79) FPR2FPR1
SCHEMBL20177483 0.86 FPR2 (0.79) FPR2FPR1MAPT
SCHEMBL20177830 0.81 FPR2 (0.71) FPR2FPR1MAPT
SCHEMBL20177685 0.79 FPR2 (0.59) FPR2FPR1MAPTALDH1A1
SCHEMBL20177843 0.78 FPR2 (0.67) FPR2FPR1MAPTALDH1A1
SCHEMBL20177523 0.78 FPR2 (0.67) FPR2FPR1
SCHEMBL20177550 0.78 FPR2 (0.67) FPR2FPR1MAPTALDH1A1
SCHEMBL20177811 0.78 FPR2 (0.66) 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