SCHEMBL8890767

SCHEMBL8890767

CCN(CC)CCCNc1nc(NCCCCCCN)nc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
TOP2A P11388 1/20 0.58
SLC2A1 P11166 1/20 0.57
CACNA2D1 P54289 1/20 0.56
GAA P10253 1/20 0.56
FLT3 P36888 6/20 0.54
CASP6 P55212 1/20 0.54
TRIM58 Q8NG06 1/20 0.52
APP P05067 3/20 0.51
BCHE P06276 3/20 0.51
ACHE P22303 3/20 0.51
NPY1R P25929 1/20 0.49
NPY5R Q15761 1/20 0.49
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL8890527 0.99 POLB (0.64) POLBTOP2ASLC2A1CACNA2D1GAA
SCHEMBL11861178 0.92 POLB (0.71) POLBTOP2ASLC2A1CACNA2D1GAA
Hydrochloric Acid SCHEMBL8890506 0.86 POLB (0.59) POLBTOP2ASLC2A1CACNA2D1GAA
SCHEMBL11734758 0.83 CASP6 (0.62) POLBCASP6APPBCHEACHE
SCHEMBL8890399 0.82 CASP6 (0.52) CASP6APPBCHEACHENPY1R
SCHEMBL8890175 0.81 PDE5A (0.55) CASP6APPBCHEACHEALDH1A1
SCHEMBL12120415 0.81 APP (0.65) POLBTOP2ASLC2A1CACNA2D1GAA
SCHEMBL8890083 0.81 POLB (0.55) POLBTOP2ASLC2A1CACNA2D1GAA
SCHEMBL8908343 0.81 POLB (0.55) POLBTOP2ASLC2A1CACNA2D1GAA
SCHEMBL8899454 0.80 POLB (0.52) POLBTOP2ASLC2A1CACNA2D1GAA

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-1997020821-A1 HETEROARYL DERIVATIVES NOVARTIS AG (CH) 1997-06-12 WO disclosed