SCHEMBL20177685

SCHEMBL20177685

CCOc1cc(F)c([C@@H]2CN3CCON=C3[C@H]2NC(=O)OCc2ccc(OC)cc2)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.59
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
GRIN2B Q13224 1/20 0.35
CPS1 P31327 2/20 0.35
HTR2A P28223 2/20 0.34
FPR1 P21462 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CSF1R P07333 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL20177654 0.92 FPR2 (0.62) FPR2SMN1; SMN2PKMHTTGRIN2B
SCHEMBL20177559 0.90 FPR2 (0.58) FPR2SMN1; SMN2PKMHTTGRIN2B
SCHEMBL20177613 0.90 FPR2 (0.58) FPR2SMN1; SMN2PKMHTTGRIN2B
SCHEMBL20177520 0.89 FPR2 (0.64) FPR2FPR1MAPT
SCHEMBL20177886 0.83 FPR2 (0.50) FPR2SMN1; SMN2PKMHTTGRIN2B
SCHEMBL20177944 0.83 FPR2 (0.50) FPR2SMN1; SMN2PKMHTTHTR2A
SCHEMBL20177719 0.83 FPR2 (0.50) FPR2SMN1; SMN2PKMHTTGRIN2B
SCHEMBL20177925 0.81 FPR2 (0.46) FPR2SMN1; SMN2PKMHTTFPR1
SCHEMBL18264293 0.79 FPR2 (0.75) FPR2FPR1
SCHEMBL18264295 0.79 FPR2 (0.75) 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