SCHEMBL20177520

SCHEMBL20177520

COc1cc(F)c([C@@H]2CN3CCON=C3[C@H]2NC(=O)OCc2ccccc2)c(F)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.64
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
KCNQ2 O43526 1/20 0.39
FPR1 P21462 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
NAAA Q02083 1/20 0.36
CAPN1 P07384 1/20 0.35

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 0.90 FPR2 (0.62) FPR2KCNQ2FPR1MAPT
SCHEMBL20177685 0.89 FPR2 (0.59) FPR2FPR1MAPT
SCHEMBL20177559 0.88 FPR2 (0.58) FPR2FPR1
SCHEMBL20177613 0.88 FPR2 (0.58) FPR2FPR1LMNAMAPT
SCHEMBL18264293 0.86 FPR2 (0.75) FPR2FPR1
SCHEMBL18264295 0.86 FPR2 (0.75) FPR2FPR1
SCHEMBL18270452 0.85 FPR2 (0.46) FPR2CA1CA2ACHEKCNQ2
SCHEMBL20177944 0.81 FPR2 (0.50) FPR2FPR1LMNA
SCHEMBL20177886 0.81 FPR2 (0.50) FPR2KCNQ2LMNAMAPT
SCHEMBL20177719 0.81 FPR2 (0.50) FPR2KCNQ2

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