SCHEMBL8908343

SCHEMBL8908343

CCN(CC)CCCNc1nc(NC[C@H]2CC[C@H](CN)CC2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
TOP2A P11388 1/20 0.52
SLC2A1 P11166 1/20 0.52
CASP6 P55212 1/20 0.51
GAA P10253 1/20 0.50
FLT3 P36888 6/20 0.49
CACNA2D1 P54289 1/20 0.47
TRIM58 Q8NG06 1/20 0.47
SOS1 Q07889 1/20 0.45
ADRA2A P08913 2/20 0.44
NPY5R Q15761 2/20 0.44
MCHR1 Q99705 1/20 0.44
APP P05067 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CCR4 P51679 1/20 0.44
KDM1A O60341 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44

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
SCHEMBL8890083 1.00 POLB (0.55) POLBTOP2ASLC2A1CASP6GAA
SCHEMBL8898707 0.94 FLT3 (0.48) POLBTOP2ASLC2A1CASP6FLT3
SCHEMBL8899155 0.90 TRIM58 (0.57) POLBTOP2ASLC2A1CASP6FLT3
SCHEMBL8907323 0.90 TRIM58 (0.57) POLBTOP2ASLC2A1CASP6FLT3
SCHEMBL8890072 0.88 POLB (0.51) POLBTOP2ASLC2A1CASP6GAA
SCHEMBL8898947 0.85 TLR9 (0.51) POLBTOP2ACASP6GAAFLT3
SCHEMBL8899104 0.84 NPY5R (0.54) POLBTOP2ASLC2A1CASP6GAA
SCHEMBL8899107 0.84 NPY5R (0.54) POLBTOP2ASLC2A1CASP6GAA
SCHEMBL8901747 0.84 TAAR1 (0.56) POLBSLC2A1GAASOS1APP
SCHEMBL8898278 0.84 SOS1 (0.52) CASP6TRIM58SOS1ADRA2ANPY5R

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-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed