SCHEMBL7908663

SCHEMBL7908663

C#CC1=CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TMEM97 Q5BJF2 3/20 0.44
SIGMAR1 Q99720 3/20 0.44
HTT P42858 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL19046612 0.81 GRM5 (0.58) GRM5SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8315932 0.80 MEN1 (0.57) GRM5SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL11957019 0.80 GRM5 (0.57) GRM5SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL21078113 0.80 GRM5 (0.57) GRM5SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL11560889 0.80 GRM5 (0.57) GRM5SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6382962 0.79 GRM5 (0.56) GRM5SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9181047 0.79 GRM5 (0.56) GRM5SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL25292667 0.78 GRM5 (0.55) GRM5SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6688964 0.78 GRM5 (0.57) GRM5SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1709001 0.78 GRM5 (0.55) GRM5SMN1; SMN2NPC1RAB9AMEN1

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-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO disclosed