SCHEMBL6332995

SCHEMBL6332995

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

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
PDK4 Q16654 1/20 0.31
USP30 Q70CQ3 1/20 0.31
CCNT1 O60563 2/20 0.31
CDK9 P50750 2/20 0.31
CNR1 P21554 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
WDR5 P61964 1/20 0.30
GRM5 P41594 1/20 0.30
GRM1 Q13255 1/20 0.30
HTR1D P28221 1/20 0.30

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 0.90 GYS1 (0.36) JAK1PDK4USP30CCNT1CDK9
SCHEMBL6334303 0.84 TSHR (0.32) JAK1LMNATSHRPDK4USP30
SCHEMBL6340611 0.83 LMNA (0.33) JAK1LMNATSHRPDK4USP30
SCHEMBL6333427 0.81 HTR2C (0.39) PDK4WDR5
SCHEMBL6339270 0.73 GYS1 (0.37) JAK1PDK4CCNT1CDK9NR1H2
SCHEMBL1770789 0.73 LMNA (0.34) LMNAUSP30NR1H2NR1H3WDR5
SCHEMBL6492320 0.73 HTR1D (0.37) JAK1PDK4CCNT1CDK9CNR1
SCHEMBL6492149 0.72 TDO2 (0.46) HTR1D
SCHEMBL6504144 0.71 HTR2A (0.36) JAK1PDK4NR1H2NR1H3WDR5
Hydrochloric Acid SCHEMBL6334531 0.70

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