SCHEMBL3399260

SCHEMBL3399260

CC(C)COC(=O)N1CCC(Oc2cccc(Br)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.47
LNPEP Q9UIQ6 2/20 0.43
EPHX2 P34913 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL3914633 0.86 MLNR (0.49) GPR119LNPEPHRH3MEN1KMT2A
SCHEMBL4620879 0.86 GPR119 (0.47) GPR119HRH3MEN1KMT2A
SCHEMBL23301488 0.82 SMN1; SMN2 (0.57) GPR119LNPEPMEN1KMT2ASMN1; SMN2
SCHEMBL29942602 0.82 SMN1; SMN2 (0.57) GPR119LNPEPMEN1KMT2ASMN1; SMN2
SCHEMBL3618820 0.80 LNPEP (0.48) GPR119LNPEPMEN1KMT2ASMN1; SMN2
SCHEMBL30740748 0.80 GPR119 (0.55) GPR119HRH3MEN1KMT2A
SCHEMBL1364255 0.80 GPR119 (0.55) GPR119HRH3MEN1KMT2A
SCHEMBL3396290 0.80 PRMT5 (0.47) HRH3MEN1KMT2A
SCHEMBL14746764 0.79 SCD (0.48) GPR119EPHX2SMN1; SMN2
SCHEMBL15637209 0.79 SLC6A2 (0.50) EPHX2SLC6A2SLC6A4SLC6A3MEN1

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
EP-2249647-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed