SCHEMBL22965295

SCHEMBL22965295

NC(COC(F)(F)F)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.39
KCNA5 P22460 1/20 0.39
KCNH2 Q12809 1/20 0.39
CETP P11597 1/20 0.39
KIF11 P52732 1/20 0.39
TACR1 P25103 2/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
SLC6A2 P23975 4/20 0.38

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
SCHEMBL22953366 1.00 SCN4A (0.41) SCN4ATRPM8KCNA5KCNH2CETP
Hydrochloric Acid SCHEMBL28702855 0.98 SCN4A (0.40) SCN4ATRPM8KCNA5KCNH2CETP
Hydrochloric Acid SCHEMBL28702853 0.98 SCN4A (0.40) SCN4ATRPM8KCNA5KCNH2CETP
SCHEMBL22965315 0.88 SCN4A (0.39) SCN4ATRPM8TACR1CACNA1FCACNA1D
SCHEMBL22952697 0.88 SCN4A (0.39) SCN4ATRPM8TACR1CACNA1FCACNA1D
Hydrochloric Acid SCHEMBL28716051 0.87 SCN4A (0.38) SCN4ATRPM8TACR1CACNA1FCACNA1D
Hydrochloric Acid SCHEMBL28716054 0.87 SCN4A (0.38) SCN4ATRPM8TACR1CACNA1FCACNA1D
Hydrochloric Acid SCHEMBL29440473 0.87 SCN4A (0.38) SCN4ATRPM8TACR1CACNA1FCACNA1D
SCHEMBL21272606 0.86 GNRHR (0.41) SCN4ATRPM8TACR1SLC6A2
SCHEMBL21272608 0.86 GNRHR (0.41) SCN4ATRPM8TACR1SLC6A2

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-2021023617-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. LUNDBECK A/S (DK) 2021-02-11 WO disclosed