SCHEMBL5197367

SCHEMBL5197367

COc1cccc2c1Sc1cc(Br)ccc1[C@H]2C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.43
TGFBR1 P36897 3/20 0.42
STS P08842 1/20 0.42
BACE1 P56817 1/20 0.41
PDE4B Q07343 3/20 0.41
PDE4A P27815 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL5097028 1.00 GPR119 (0.43) GPR119TGFBR1STSBACE1PDE4B
SCHEMBL5091022 0.87 MAPT (0.37) ALDH1A1MEN1KMT2ATP53
SCHEMBL5097502 0.83 GPR119 (0.49) GPR119TGFBR1
SCHEMBL5096953 0.80 GPR119 (0.43) GPR119TGFBR1STSBACE1PDE4B
SCHEMBL2277132 0.72 PDE4B (0.64) GPR119STSPDE4BPDE4APDE4C
SCHEMBL31583988 0.72 PDE4B (0.64) GPR119STSPDE4BPDE4APDE4C
SCHEMBL1015417 0.71 PDE4B (0.57) STSPDE4BPDE4APDE4CPDE4D
SCHEMBL1015416 0.71 PDE4B (0.57) STSPDE4BPDE4APDE4CPDE4D
SCHEMBL1018705 0.71 PDE4B (0.57) STSPDE4BPDE4APDE4CPDE4D
SCHEMBL4854592 0.70 MEN1 (0.64) GPR119PDE4BALDH1A1MEN1KMT2A

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-1836196-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 EP disclosed
WO-2006069275-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed