SCHEMBL6340611

SCHEMBL6340611

CC1C=C(c2cc(F)c(Cl)c3ccoc23)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
USP30 Q70CQ3 2/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP3A5 P20815 1/20 0.32
JAK1 P23458 1/20 0.31
GRM5 P41594 1/20 0.31
PDK4 Q16654 1/20 0.31
GPR119 Q8TDV5 3/20 0.31
GHSR Q92847 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ESR2 Q92731 1/20 0.31
ALDH1A1 P00352 1/20 0.31
APP P05067 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
SCHEMBL6339270 0.90 GYS1 (0.37) NR1H2NR1H3JAK1PDK4GPR119
SCHEMBL6335122 0.84 TSHR (0.34) LMNATSHRUSP30GRM5PDK4
SCHEMBL6334848 0.83 GYS1 (0.34) USP30NR1H2NR1H3GRM5GPR119
SCHEMBL6332995 0.83 JAK1 (0.32) LMNATSHRUSP30NR1H2NR1H3
SCHEMBL6330650 0.78 NR1H2 (0.33) USP30NR1H2NR1H3GRM5GPR119
Hydrochloric Acid SCHEMBL7474626 0.78 CDK9 (0.32) JAK1CCNT1CDK9
SCHEMBL6502167 0.73 TDO2 (0.45) DRD2HTR1DHTR1BHTR2A
SCHEMBL6330870 0.73 GYS1 (0.36) USP30NR1H2NR1H3JAK1GRM5
Hydrochloric Acid SCHEMBL6338676 0.70 CCNT1 (0.36) HTR2CCCNT1CDK9
SCHEMBL429243 0.68 SSTR4 (0.38) GRM5PDK4GPR119MEN1KMT2A

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