SCHEMBL7685849

SCHEMBL7685849

N#Cc1ccc(C(=O)c2ccc(OC/C=C/CNCC3CC3)c(F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.39
VNN1 O95497 7/20 0.38
AR P10275 1/20 0.37
PRKAB2 O43741 2/20 0.36
PRKAG1 P54619 2/20 0.36
PRKAA2 P54646 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAG3 Q9UGI9 2/20 0.36
PRKAG2 Q9UGJ0 2/20 0.36
PRKAB1 Q9Y478 2/20 0.36
KDM1A O60341 2/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
USP30 Q70CQ3 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
NSD2 O96028 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
SCHEMBL7768086 0.87 VNN1 (0.40) VNN1KCNH2
SCHEMBL7685431 0.87 VNN1 (0.40) VNN1KCNH2
SCHEMBL7677619 0.81 F10 (0.40) F10VNN1ARKCNH2SIGMAR1
SCHEMBL7687468 0.81 GSK3B (0.40) VNN1AR
SCHEMBL7687463 0.81 GSK3B (0.40) VNN1AR
SCHEMBL7685855 0.80 LSS (0.57) VNN1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7685852 0.80 LSS (0.57) VNN1PRKAB2PRKAG1PRKAA2PRKAA1
Fumaric Acid SCHEMBL7686378 0.79 F10 (0.37) F10VNN1ARSIGMAR1EGLN2
SCHEMBL7679275 0.72 LSS (0.60)
SCHEMBL7771941 0.72 LSS (0.60)

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