SCHEMBL8723280

SCHEMBL8723280

O=c1[nH]ccn1-c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 2/20 0.41
LIPE Q05469 13/20 0.37
SCN8A Q9UQD0 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
SCN5A Q14524 1/20 0.35
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL8718863 0.89 CMA1 (0.37) CMA1KCNH2MCHR1
SCHEMBL8105481 0.86 HTT (0.39) CMA1KCNH2MCHR1
SCHEMBL8723274 0.82 USP2 (0.46) CMA1
SCHEMBL8718847 0.80 ACACB (0.41) CMA1LIPEKCNH2MCHR1
SCHEMBL8721198 0.80 POLB (0.49) CMA1LIPESCN5AMCHR1
SCHEMBL5906085 0.79 TRPV1 (0.41) CMA1
SCHEMBL9016101 0.79 CMA1 (0.35) CMA1KCNH2MCHR1
SCHEMBL8111166 0.77 TRPV1 (0.37) CMA1KCNH2
SCHEMBL9232299 0.77 HTT (0.54) CMA1LIPESCN5A
SCHEMBL16710172 0.76 GPR3 (0.42) LIPEKCNH2MCHR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567982-B1 Azole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP disclosed
US-5466820-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-11-14 US disclosed
US-5371101-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
EP-0567982-A1 Azole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-11-03 EP disclosed