SCHEMBL27412786

SCHEMBL27412786

CO[C@@H]1CCN(C/C=C/C(C)=O)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MCHR1 Q99705 1/20 0.32
GRM2 Q14416 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LTA4H P09960 1/20 0.30

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
SCHEMBL20715377 0.91 SLC6A11 (0.39) SLC6A11
SCHEMBL21625324 0.90 KMT2A (0.34) MCHR1MEN1KMT2A
SCHEMBL16901707 0.88 SLC6A11 (0.36) SLC6A11PDCD1CD274MCHR1
SCHEMBL19190098 0.88 SLC6A11 (0.36) SLC6A11PDCD1CD274MCHR1
SCHEMBL16901708 0.88 SLC6A11 (0.36) SLC6A11PDCD1CD274MCHR1
SCHEMBL22198734 0.87
SCHEMBL27412918 0.85 PDCD1 (0.34) SLC6A11PDCD1CD274MCHR1GRM2
SCHEMBL19720564 0.84 SLC6A11 (0.32) SLC6A11PDCD1CD274MCHR1
SCHEMBL23156772 0.79 FGFR2 (0.34)
SCHEMBL22149110 0.79 FGFR2 (0.34)

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-2024138206-A1 FLUOROPYRIDOPYRIMIDINE AND FLUOROQUINAZOLINE DERIVATIES AND METHODS OF USE THEREOF FRONTIER MEDICINES CORPORATION (US) 2024-06-27 WO disclosed