SCHEMBL8445102

SCHEMBL8445102

CC(=O)NC[C@H]1C=C(c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.44
NAMPT P43490 1/20 0.42
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
EED O75530 4/20 0.40
RBBP4 Q09028 4/20 0.40
SUZ12 Q15022 4/20 0.40
EZH2 Q15910 4/20 0.40
GRM5 P41594 4/20 0.40
GRM1 Q13255 4/20 0.40
CNR1 P21554 1/20 0.40
TNF P01375 1/20 0.40
JAK1 P23458 1/20 0.40
SCN9A Q15858 1/20 0.39
WDR5 P61964 1/20 0.39
CDK9 P50750 2/20 0.39
HTR6 P50406 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
SCHEMBL8450015 0.87 MAOA (0.39) CDK9
SCHEMBL6396778 0.78 MAOA (0.64)
SCHEMBL6396782 0.78 MAOA (0.64)
SCHEMBL7121158 0.78 PDK4 (0.45) PDK4NAMPTPRMT5WDR77GRM5
SCHEMBL8445812 0.78 MAOA (0.40) CDK9HTR6
SCHEMBL7027197 0.77 MAOA (0.44) PDK4PRMT5WDR77EEDRBBP4
SCHEMBL27025947 0.76 GRM1 (0.53) PDK4NAMPTGRM5GRM1TNF
SCHEMBL1199494 0.74 GRM5 (0.55) PDK4NAMPTGRM5GRM1TNF
SCHEMBL8655743 0.74 MAOA (0.44)
SCHEMBL6396651 0.74 MAOA (0.62)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912561-A1 3-PHENYL-FURAN-(5H)-2-ONE AND DIHYDROFURAN-2-ONE DERIVATIVES AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 1999-05-06 EP disclosed
WO-1997043280-A1 3-PHENYL-FURAN-(5H)-2-ONE AND DIHYDROFURAN-2-ONE DERIVATIVES AS ANTIBACTERIAL AGENTS ZENECA LIMITED (GB) 1997-11-20 WO disclosed