SCHEMBL6334689

SCHEMBL6334689

CC(C)(C)OC(=O)N1CC=C(c2cc(F)c(F)c3ccoc23)C(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.34
PDK4 Q16654 1/20 0.33
GYS1 P13807 4/20 0.33
CDK9 P50750 3/20 0.33
CCNT1 O60563 2/20 0.33
EED O75530 1/20 0.32
RBBP4 Q09028 1/20 0.32
SUZ12 Q15022 1/20 0.32
EZH2 Q15910 1/20 0.32
GRM5 P41594 3/20 0.32
GRM1 Q13255 3/20 0.32
HTR1D P28221 1/20 0.32
JAK1 P23458 1/20 0.32
HTR6 P50406 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC1 Q13547 1/20 0.31
SCD5 Q86SK9 1/20 0.31

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
SCHEMBL6330870 0.74 GYS1 (0.36) NR1H2PDK4GYS1CDK9CCNT1
SCHEMBL9933603 0.70 PDK4 (0.51) PDK4CDK9CCNT1EEDRBBP4
SCHEMBL6339270 0.70 GYS1 (0.37) NR1H2PDK4GYS1CDK9CCNT1
SCHEMBL2160148 0.68 MEN1 (0.46) NR1H2
SCHEMBL6332970 0.68 GPR119 (0.40) JAK1GPR119
SCHEMBL6331202 0.68 GPR119 (0.40) JAK1GPR119
SCHEMBL6332967 0.68 GPR119 (0.40) JAK1GPR119
SCHEMBL6331203 0.68 GPR119 (0.40) JAK1GPR119
SCHEMBL6331201 0.68 GPR119 (0.40) JAK1GPR119
SCHEMBL6596592 0.67 NR1H2 (0.35) NR1H2PDK4GRM5GRM1GPR119

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
US-6881733-B1 Serotonergic benzofurans ELI LILLY AND COMPANY (US) 2005-04-19 US disclosed
EP-1204659-B1 SEROTONERGIC BENZOFURANS LILLY CO ELI (US) 2003-11-26 EP disclosed