SCHEMBL29950071

SCHEMBL29950071

CC1(C)CC(=O)CC(CCC(F)(F)F)(CCC(F)(F)F)N1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 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
SCHEMBL1802898 0.78 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL1802875 0.75 HSD17B10 (0.42) SMN1; SMN2
SCHEMBL1803803 0.74 KDM4E (0.40) SMN1; SMN2
SCHEMBL38953 0.70 SMN1; SMN2 (0.56) SMN1; SMN2
SCHEMBL4124849 0.69 SMN1; SMN2 (0.35) SMN1; SMN2
Water SCHEMBL7733637 0.68 SMN1; SMN2 (0.54) SMN1; SMN2
Iodide SCHEMBL11830139 0.68 SMN1; SMN2 (0.54) SMN1; SMN2
Hydrochloric Acid SCHEMBL20704047 0.68 SMN1; SMN2 (0.54) SMN1; SMN2
Water SCHEMBL4837114 0.68 SMN1; SMN2 (0.54) SMN1; SMN2
SCHEMBL29829697 0.68 SMN1; SMN2 (0.54) SMN1; SMN2

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-2022196523-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST AGENT TDK株式会社 2022-09-22 WO disclosed