SCHEMBL13716767

SCHEMBL13716767

CNC1CCC(C(=O)Nc2cccc(N)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
USP2 O75604 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
DDX3X O00571 1/20 0.53
BTK Q06187 1/20 0.51
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
GFER P55789 1/20 0.48
KMT2A Q03164 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
GLA P06280 1/20 0.47
NAMPT P43490 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL4230443 0.89 DDX3X (0.65) GAAALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL20093477 0.84 GAA (0.57) GAAALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL1242082 0.83 NPSR1 (0.69) GAAALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL12825257 0.83 NPSR1 (0.65) GAAALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL20332958 0.82 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2LMNANPSR1USP2
SCHEMBL4218895 0.82 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2LMNANPSR1USP2
SCHEMBL10113100 0.81 NPY5R (0.53) GAAALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL10113954 0.81 GRIA2 (0.53) GAAALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL13203720 0.81 NPY5R (0.53) GAAALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL12825253 0.80 ALDH1A1 (0.54) GAAALDH1A1SMN1; SMN2LMNANPSR1

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-1249233-B9 NPYY5 ANTAGONISTS SHIONOGI & CO (JP) 2009-08-05 EP disclosed
EP-1249233-B1 NPYY5 ANTAGONISTS SHIONOGI & CO (JP) 2008-08-20 EP disclosed