SCHEMBL7685852

SCHEMBL7685852

CN(C/C=C/COc1ccc(C(=O)c2ccc(C#N)cc2)cc1F)C1CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 9/20 0.57
HRH3 Q9Y5N1 1/20 0.40
NSD2 O96028 2/20 0.38
ACHE P22303 1/20 0.37
VNN1 O95497 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KDM1A O60341 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DPP4 P27487 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 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
SCHEMBL7685855 1.00 LSS (0.57) LSSHRH3NSD2ACHEVNN1
SCHEMBL7685436 0.87 LSS (0.57) LSSACHEVNN1DPP4DPP9
SCHEMBL7685430 0.87 LSS (0.57) LSSACHEVNN1DPP4DPP9
SCHEMBL7677627 0.81 LSS (0.58) LSSHRH3NSD2ACHEVNN1
SCHEMBL7687468 0.80 GSK3B (0.40) ACHEVNN1GAASMN1; SMN2
SCHEMBL7687463 0.80 GSK3B (0.40) ACHEVNN1GAASMN1; SMN2
SCHEMBL7685849 0.80 F10 (0.39) NSD2VNN1KDM1APRKAB2PRKAG1
Fumaric Acid SCHEMBL7686380 0.78 LSS (0.53) LSSHRH3NSD2ACHEVNN1
SCHEMBL23752312 0.73 LSS (1.00) LSS
SCHEMBL7679278 0.73 LSS (1.00) LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US claimed
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP claimed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP claimed
US-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US disclosed
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
US-6034275-A FUGICIDES; ATICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-03-07 US disclosed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed