SCHEMBL7987944

SCHEMBL7987944

Cc1ccc(Cn2cnc3nc(CN(C)C(=O)OC(C)(C)C)nc(O)c32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.38
SLC6A4 P31645 2/20 0.38
MCL1 Q07820 1/20 0.34
LMNA P02545 3/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.32
NR3C1 P04150 2/20 0.32
HSP90AA1 P07900 1/20 0.32
CACNA1G O43497 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNA1C Q13936 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
CNR2 P34972 1/20 0.31
TP53 P04637 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31

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
SCHEMBL7992285 0.91 ABCC8 (0.41) HTR2CSLC6A4MCL1LMNAHPGD
SCHEMBL7974300 0.91 HTR2C (0.37) HTR2CSLC6A4MCL1CYP11B1CYP11B2
SCHEMBL7985457 0.91 HTR2C (0.46) HTR2CSLC6A4MCL1SMN1; SMN2HPGD
SCHEMBL7988121 0.86 SMN1; SMN2 (0.41) HTR2CSLC6A4MCL1HTTSMN1; SMN2
SCHEMBL7975222 0.84 MCL1 (0.39) HTR2CSLC6A4MCL1LMNATP53
SCHEMBL7988928 0.83 GAA (0.44) HTR2CSLC6A4MCL1HPGDTP53
SCHEMBL7988917 0.83 HTR2C (0.40) HTR2CSLC6A4MCL1SMN1; SMN2HPGD
SCHEMBL7987946 0.82 HPGD (0.42) HTR2CSLC6A4MCL1LMNACYP11B1
SCHEMBL7991605 0.82 HTR2C (0.41) HTR2CSLC6A4MCL1
SCHEMBL7974025 0.81 HTR2C (0.39) HTR2CSLC6A4MCL1SMN1; SMN2HPGD

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
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed