SCHEMBL7987553

SCHEMBL7987553

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.46
GRM5 P41594 10/20 0.45
GRM1 Q13255 10/20 0.43
NAMPT P43490 1/20 0.42
ESR2 Q92731 1/20 0.41
NR1H2 P55055 1/20 0.40
HTR6 P50406 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA1 P30542 1/20 0.38

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
SCHEMBL12074148 0.89 PDK4 (0.47) PDK4GRM5GRM1NAMPTESR2
SCHEMBL4532704 0.87 PDK4 (0.46) PDK4GRM5GRM1NAMPTESR2
SCHEMBL30570161 0.86 PDK4 (0.46) PDK4GRM5GRM1NAMPTESR2
SCHEMBL597913 0.85 PDK4 (0.45) PDK4GRM5GRM1NAMPTESR2
SCHEMBL2002272 0.84 PDK4 (0.48) PDK4GRM5GRM1NAMPTESR2
SCHEMBL12566963 0.84 PDK4 (0.48) PDK4GRM5GRM1NAMPTESR2
SCHEMBL7677696 0.84 PDK4 (0.44) PDK4GRM5GRM1NAMPTESR2
SCHEMBL6662189 0.83 PDK4 (0.47) PDK4GRM5GRM1NAMPTESR2
SCHEMBL2349369 0.83 PDK4 (0.47) PDK4GRM5GRM1NAMPTESR2
SCHEMBL2003552 0.83 PDK4 (0.47) PDK4GRM5GRM1NAMPTESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed