SCHEMBL6330870

SCHEMBL6330870

CC1CC(c2cc(F)c(F)c3ccoc23)=CCN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 7/20 0.36
HTR1D P28221 1/20 0.32
JAK1 P23458 2/20 0.32
PDK4 Q16654 1/20 0.32
CCNT1 O60563 3/20 0.31
CDK9 P50750 3/20 0.31
EED O75530 1/20 0.31
RBBP4 Q09028 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
WDR5 P61964 1/20 0.31
GRM5 P41594 1/20 0.31
GRM1 Q13255 1/20 0.31
USP30 Q70CQ3 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
SCHEMBL6332995 0.90 JAK1 (0.32) HTR1DJAK1PDK4CCNT1CDK9
SCHEMBL6339270 0.82 GYS1 (0.37) GYS1HTR1DJAK1PDK4CCNT1
SCHEMBL6333427 0.82 HTR2C (0.39) PDK4WDR5
SCHEMBL6334303 0.82 TSHR (0.32) JAK1PDK4EEDRBBP4SUZ12
SCHEMBL1770789 0.74 LMNA (0.34) NR1H2NR1H3WDR5GRM5GRM1
SCHEMBL6492320 0.74 HTR1D (0.37) HTR1DJAK1PDK4CCNT1CDK9
SCHEMBL6334689 0.74 NR1H2 (0.34) GYS1HTR1DJAK1PDK4CCNT1
SCHEMBL6340611 0.73 LMNA (0.33) HTR1DJAK1PDK4CCNT1CDK9
SCHEMBL6492149 0.71 TDO2 (0.46) HTR1D
SCHEMBL6504144 0.71 HTR2A (0.36) HTR1DJAK1PDK4NR1H2NR1H3

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 4 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
EP-1204659-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001009122-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed