SCHEMBL7987945

SCHEMBL7987945

Cc1ccc(Cn2cnc3[nH]c(CN(C)C(=O)OC(C)(C)C)nc(=O)c32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1C Q13936 1/20 0.39
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
CNOT7 Q9UIV1 3/20 0.36
PARN O95453 1/20 0.36
P2RX7 Q99572 2/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
LMNA P02545 1/20 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
MCL1 Q07820 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL7992288 0.92 ABCC8 (0.41) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL7974301 0.92 CACNA1G (0.40) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL7985460 0.92 CNOT7 (0.45) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL7988124 0.87 SMN1; SMN2 (0.41) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL7987946 0.85 HPGD (0.42) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL7988929 0.84 TP53 (0.43) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL7975225 0.84 CACNA1G (0.40) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL7991608 0.83 CNOT7 (0.47) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL7988921 0.83 CNOT7 (0.44) HTR2CSLC6A4CNOT7PARNP2RX7
SCHEMBL7974180 0.81 CNOT7 (0.44) HTR2CSLC6A4CNOT7PARNP2RX7

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