SCHEMBL6334303

SCHEMBL6334303

CC1CC(c2ccc(Cl)c3ccoc23)=CCN1C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 2/20 0.32
OPRK1 P41145 1/20 0.31
PDK4 Q16654 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CNR1 P21554 1/20 0.30
USP30 Q70CQ3 1/20 0.30
EED O75530 1/20 0.30
RBBP4 Q09028 1/20 0.30
SUZ12 Q15022 1/20 0.30
EZH2 Q15910 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
SUV39H2 Q9H5I1 1/20 0.30
JAK1 P23458 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
SCHEMBL6333427 0.86 HTR2C (0.39) PDK4
SCHEMBL6332995 0.84 JAK1 (0.32) TSHRLMNAPDK4CNR1USP30
SCHEMBL6330870 0.82 GYS1 (0.36) PDK4USP30EEDRBBP4SUZ12
SCHEMBL6335122 0.82 TSHR (0.34) TSHRLMNAALDH1A1OPRK1PDK4
SCHEMBL24700152 0.70 GRM5 (0.42) PDK4USP30
SCHEMBL21276535 0.69 MAPK1 (0.39) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL30639364 0.69 HDAC1 (0.36) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL30639361 0.69 HDAC1 (0.36) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL23868537 0.69 GRM1 (0.45) PDK4USP30
SCHEMBL6492320 0.67 HTR1D (0.37) PDK4CNR1BRD4JAK1

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