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SCHEMBL7939639

SCHEMBL7939639

CC(C)(C)OC(=O)N1CC=C(c2ccccc2Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK4 Q16654 1/20 0.62
▸ HTR6 P50406 1/20 0.54
▸ GRM1 Q13255 10/20 0.53
▸ GRM5 P41594 10/20 0.53
▸ NAMPT P43490 1/20 0.50
▸ BTK Q06187 1/20 0.46
▸ CNR1 P21554 1/20 0.45
▸ JAK1 P23458 1/20 0.44
▸ PDE10A Q9Y233 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
SCHEMBL3436385 0.83 PDK4 (0.69) PDK4HTR6GRM1GRM5NAMPT
SCHEMBL12712665 0.83 PDK4 (0.64) PDK4HTR6GRM1GRM5NAMPT
SCHEMBL23210245 0.83 PDK4 (0.60) PDK4HTR6GRM1GRM5NAMPT
SCHEMBL1660415 0.82 PDK4 (0.59) PDK4HTR6GRM1GRM5NAMPT
SCHEMBL15639859 0.82 PDK4 (0.52) PDK4HTR6GRM1GRM5NAMPT
SCHEMBL7939636 0.81 PDK4 (0.55) PDK4HTR6GRM1GRM5NAMPT
SCHEMBL12712612 0.81 PDK4 (0.69) PDK4HTR6GRM1GRM5NAMPT
SCHEMBL2239831 0.81 NAMPT (0.66) PDK4HTR6GRM1GRM5NAMPT
SCHEMBL2102373 0.81 PDK4 (0.65) PDK4HTR6GRM1GRM5NAMPT
SCHEMBL26147025 0.81 GRM5 (0.57) PDK4HTR6GRM1GRM5NAMPT

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