SCHEMBL2010301

SCHEMBL2010301

C[C@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4cccc(F)c4)CC3)n2)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MLNR O43193 7/20 0.66
MGLL Q99685 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
CXCR3 P49682 1/20 0.38
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
SLC16A3 O15427 4/20 0.36
SLC16A1 P53985 4/20 0.36
LNPEP Q9UIQ6 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
CYP2C9 P11712 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPKAPK3 Q16644 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL2013138 0.93 MLNR (0.65) MLNRMGLLCXCR3PDK1PDK2
SCHEMBL3134434 0.91 MLNR (0.73) MLNRMGLLHRH3SLC16A3SLC16A1
SCHEMBL3138321 0.83 MLNR (0.72) MLNRMGLL
SCHEMBL2010303 0.81 MLNR (0.63) MLNRHRH3SLC16A3SLC16A1
SCHEMBL2009345 0.80 MLNR (1.00) MLNR
SCHEMBL2009415 0.80 MLNR (1.00) MLNRSLC6A4SLC6A3
SCHEMBL4690685 0.80 MLNR (1.00) MLNRSLC6A4SLC6A3
SCHEMBL2012520 0.75 MLNR (0.63) MLNRHRH3SLC16A3SLC16A1
SCHEMBL2007837 0.74 MLNR (0.73) MLNRHRH3
SCHEMBL2013140 0.74 MLNR (0.61) MLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964602-B2 Biaryl compounds useful as agonists of the Gpr38 receptor GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed