SCHEMBL3928952

SCHEMBL3928952

CC(C)COC(=O)N1CCC(Oc2cccc3[nH]ccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
GPR119 Q8TDV5 4/20 0.45
HTR1A P08908 8/20 0.42
BRD4 O60885 2/20 0.42
ADRB2 P07550 3/20 0.41
ADRB1 P08588 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 2/20 0.41
ADRB3 P13945 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTR1B P28222 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
CYP2D6 P10635 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL3934713 0.81 GPR119 (0.55) JAK2JAK1GPR119BRD4
SCHEMBL14746764 0.79 SCD (0.48) GPR119BRD4
SCHEMBL4559721 0.77 MGLL (0.44) GPR119ALDH1A1USP2CHRM2
SCHEMBL4364822 0.77 GPR119 (0.41) GPR119LMNA
SCHEMBL3717758 0.76 TLR9 (0.47) JAK2JAK1GPR119
SCHEMBL6491533 0.75 GPR119 (0.48) JAK2JAK1GPR119BRD4
SCHEMBL3720029 0.75 KDM4E (0.45) JAK2JAK1GPR119LMNAKDM4E
SCHEMBL3714939 0.75 GPR119 (0.46) JAK2JAK1GPR119ALDH1A1GAA
SCHEMBL3718944 0.73 GPR119 (0.42) JAK2JAK1GPR119
SCHEMBL3925483 0.73 GPR119 (0.55) GPR119

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043744-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2009-04-08 EP disclosed
WO-2008008895-A1 GPR119 AGONISTS FOR THE TREATMENT OF DIABETES AND RELATED DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-17 WO disclosed
WO-2008008887-A2 GPR119 AGONISTS FOR TREATING METABOLIC DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-17 WO disclosed