SCHEMBL8889084

SCHEMBL8889084

COCCCNc1nc(NCC2CCC(CN)CC2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
APP P05067 5/20 0.45
TLR7 Q9NYK1 1/20 0.45
GBA1 P04062 1/20 0.44
SOS1 Q07889 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TRIM58 Q8NG06 1/20 0.44
RAD52 P43351 1/20 0.44
USP2 O75604 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MERTK Q12866 1/20 0.44
BCHE P06276 4/20 0.43
ACHE P22303 4/20 0.43
PDE5A O76074 1/20 0.43
ADRA2A P08913 1/20 0.43
NPY5R Q15761 1/20 0.43

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
SCHEMBL8898526 0.94 CYP1A2 (0.50) CASP6MEN1KMT2AAPPTLR7
SCHEMBL8889077 0.87 VCP (0.47) CASP6MEN1KMT2AAPPBCHE
SCHEMBL8898278 0.86 SOS1 (0.52) CASP6KMT2AAPPTLR7SOS1
SCHEMBL8907323 0.85 TRIM58 (0.57) CASP6KMT2ATRIM58RAD52ADRA2A
SCHEMBL8899155 0.85 TRIM58 (0.57) CASP6KMT2ATRIM58RAD52ADRA2A
SCHEMBL8890083 0.84 POLB (0.55) CASP6APPSOS1TRIM58BCHE
SCHEMBL8908343 0.84 POLB (0.55) CASP6APPSOS1TRIM58BCHE
SCHEMBL8901747 0.84 TAAR1 (0.56) MEN1KMT2AAPPTLR7SOS1
SCHEMBL8898947 0.83 TLR9 (0.51) CASP6APPTLR7SOS1TRIM58
SCHEMBL8889922 0.82 NPY5R (0.49) APPTLR7SOS1TRIM58RAD52

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