SCHEMBL29021237

SCHEMBL29021237

CC(=O)OC1CCN(c2cc(F)c(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.38
▸ F10 P00742 1/20 0.37
▸ ENPP2 Q13822 1/20 0.37
▸ ACACB O00763 4/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GRM3 Q14832 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
SCHEMBL24207600 0.86 FFAR4 (0.45) —
SCHEMBL25339547 0.84 NOTUM (0.44) F10
SCHEMBL25339552 0.84 NOTUM (0.44) F10
SCHEMBL29021196 0.84 ALDH1A1 (0.41) GRM5GRM3
SCHEMBL24206805 0.83 FFAR4 (0.42) —
SCHEMBL24207014 0.83 CHRM4 (0.38) LRRK2
SCHEMBL31143335 0.83 ACACB (0.37) GRM5ACACB
SCHEMBL28899818 0.83 LTA4H (0.39) GRM5F10ACACB
SCHEMBL25957189 0.83 LTA4H (0.39) GRM5F10ACACB
SCHEMBL30511792 0.83 MYC (0.38) GRM5LRRK2

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
CN-116323580-A Conjugated degradation (EGFR) of EGFR inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2023-06-23 — — CN disclosed
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