SCHEMBL7939636

SCHEMBL7939636

CC(C)(C)OC(=O)N1CC=C(c2cccc(Cc3ccccc3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.55
NAMPT P43490 1/20 0.54
GRM1 Q13255 9/20 0.53
GRM5 P41594 9/20 0.53
HTR6 P50406 1/20 0.48
USP30 Q70CQ3 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PRMT5 O14744 2/20 0.45
WDR77 Q9BQA1 2/20 0.45
TNK2 Q07912 1/20 0.44
SOS1 Q07889 1/20 0.44

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
SCHEMBL2811392 0.88 PDK4 (0.60) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL2239831 0.87 NAMPT (0.66) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL31009246 0.85 PDK4 (0.52) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL1366854 0.85 PDK4 (0.52) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL15709719 0.85 PDK4 (0.53) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL19989639 0.85 NAMPT (0.67) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL7831576 0.84 PDK4 (0.58) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL3169756 0.83 PDK4 (0.55) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL1364792 0.83 PDK4 (0.57) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL29914645 0.83 PDK4 (0.57) PDK4NAMPTGRM1GRM5HTR6

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
US-6248755-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-06-19 US disclosed