SCHEMBL20177654

SCHEMBL20177654

COc1ccc(COC(=O)N[C@@H]2C3=NOCCN3C[C@H]2c2c(F)cc(F)cc2F)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.62
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2A P28223 1/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 2/20 0.36
GRIN2B Q13224 1/20 0.35
CCR3 P51677 1/20 0.35
MAPT P10636 3/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FPR1 P21462 1/20 0.34
KCNQ2 O43526 1/20 0.34

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
SCHEMBL20177613 0.93 FPR2 (0.58) FPR2PKMHTTSMN1; SMN2HTR2A
SCHEMBL20177559 0.93 FPR2 (0.58) FPR2PKMHTTSMN1; SMN2HTR2A
SCHEMBL20177685 0.92 FPR2 (0.59) FPR2PKMHTTSMN1; SMN2HTR2A
SCHEMBL20177520 0.90 FPR2 (0.64) FPR2MAPTFPR1KCNQ2
SCHEMBL20177886 0.86 FPR2 (0.50) FPR2PKMHTTSMN1; SMN2HTR2A
SCHEMBL20177719 0.86 FPR2 (0.50) FPR2PKMHTTSMN1; SMN2HTR2A
SCHEMBL20177944 0.86 FPR2 (0.50) FPR2PKMHTTSMN1; SMN2HTR2A
SCHEMBL20177925 0.84 FPR2 (0.46) FPR2PKMHTTSMN1; SMN2ALDH1A1
SCHEMBL20177489 0.81 FPR2 (0.44) FPR2PKMHTTSMN1; SMN2KMT2A
SCHEMBL18264295 0.80 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