SCHEMBL24817125

SCHEMBL24817125

Nc1cccc(C#CCC(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 13/20 0.36
▸ NOS3 P29474 2/20 0.34
▸ NOS2 P35228 2/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ NOS1 P29475 1/20 0.32
▸ ASIC3 Q9UHC3 1/20 0.32
▸ HAO1 Q9UJM8 1/20 0.31

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
SCHEMBL19062737 0.77 GRM5 (0.39) GRM5NOS3NOS2NOS1ASIC3
SCHEMBL14207818 0.77 GRM5 (0.42) GRM5NOS3NOS2NOS1ASIC3
SCHEMBL10130898 0.72 GRM5 (0.48) GRM5NOS3NOS2MCHR1NOS1
SCHEMBL17039219 0.70 NOS3 (0.46) GRM5NOS3NOS2MCHR1NOS1
SCHEMBL17036489 0.69 NOS3 (0.42) GRM5NOS3NOS2MCHR1ASIC3
SCHEMBL19584510 0.69 GRM5 (0.39) GRM5NOS3NOS2
SCHEMBL29162208 0.69 NOS3 (0.32) NOS3NOS2
SCHEMBL2714786 0.68 NOS3 (0.45) GRM5NOS3NOS2MCHR1NOS1
SCHEMBL8115895 0.67 GRM5 (0.61) GRM5ASIC3
SCHEMBL24817126 0.67 SCN9A (0.40) GRM5

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-2022268230-A1 COMPOUND AS KIF18A INHIBITOR 杭州英创医药科技有限公司 2022-12-29 — — WO disclosed
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