SCHEMBL8285674

SCHEMBL8285674

COc1nc(N(Cc2cccnc2)c2cccc(C(=O)O)c2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.45
KMO O15229 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
PDK1 Q15118 4/20 0.38
CLK1 P49759 1/20 0.38
DHODH Q02127 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
SCHEMBL2910346 0.90 GRM2 (0.45) GRM2KMOL3MBTL1TSHR
SCHEMBL13210476 0.90 GRM2 (0.44) GRM2KMOL3MBTL1GAATSHR
SCHEMBL8285824 0.87 GRM2 (0.46) GRM2KMOL3MBTL1GAATSHR
SCHEMBL8284812 0.86 GRM2 (0.45) GRM2KMOL3MBTL1TSHR
SCHEMBL13210385 0.86 GRM2 (0.43) GRM2KMOL3MBTL1GAATSHR
SCHEMBL2905908 0.86 PDE4B (0.43) GRM2KMOL3MBTL1
SCHEMBL8284806 0.86 GRM2 (0.39) GRM2KMOGAATSHRKDM4C
SCHEMBL2908741 0.85 GRM2 (0.44) GRM2L3MBTL1TSHR
SCHEMBL2903330 0.84 GRM2 (0.42) GRM2L3MBTL1
SCHEMBL2908377 0.82 LTC4S (0.42) GRM2L3MBTL1DHODH

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
WO-2005061458-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-07 WO disclosed