SCHEMBL27412918

SCHEMBL27412918

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
SLC6A11 P48066 1/20 0.32
KCNQ3 O43525 2/20 0.32
KCNQ2 O43526 2/20 0.32
MCHR1 Q99705 1/20 0.31
GRM2 Q14416 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
SCHEMBL20711683 0.92 CYP3A4 (0.38) SLC6A11
SCHEMBL20711677 0.91 KCNQ3 (0.34) KCNQ3KCNQ2MCHR1
SCHEMBL20711676 0.88
SCHEMBL19190098 0.85 SLC6A11 (0.36) PDCD1CD274SLC6A11MCHR1
SCHEMBL16901707 0.85 SLC6A11 (0.36) PDCD1CD274SLC6A11MCHR1
SCHEMBL27412786 0.85 SLC6A11 (0.33) PDCD1CD274SLC6A11MCHR1GRM2
SCHEMBL16901708 0.85 SLC6A11 (0.36) PDCD1CD274SLC6A11MCHR1
SCHEMBL19720564 0.81 SLC6A11 (0.32) PDCD1CD274SLC6A11MCHR1
SCHEMBL20711845 0.81 ALDH1A1 (0.32) SLC6A11MCHR1
SCHEMBL24091374 0.80 DPP4 (0.37)

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