SCHEMBL8901507

SCHEMBL8901507

NCC1CCC(CNc2nc(NCCN3CCNCC3)c3ccccc3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 3/20 0.53
BCDIN3D Q7Z5W3 1/20 0.43
APP P05067 2/20 0.43
TLR7 Q9NYK1 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
ALOX15 P16050 3/20 0.42
USP2 O75604 2/20 0.42
CYP2C19 P33261 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
SOS1 Q07889 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
TOP2A P11388 1/20 0.41
ACP1 P24666 1/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
HIF1A Q16665 2/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL8898746 0.90 TOP2A (0.53) TRIM58BCDIN3DAPPTLR7CYP1A2
SCHEMBL8890645 0.89 TLR9 (0.47) TRIM58BCDIN3DAPPTLR7CYP1A2
SCHEMBL8898099 0.88 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6ALOX15USP2
SCHEMBL8901492 0.88 TRIM58 (0.49) TRIM58APPACHEACP1
SCHEMBL8898278 0.83 SOS1 (0.52) TRIM58BCDIN3DAPPTLR7SOS1
SCHEMBL8901747 0.81 TAAR1 (0.56) APPTLR7USP2SOS1TSHR
SCHEMBL8898526 0.79 CYP1A2 (0.50) TRIM58APPTLR7CYP1A2CYP3A4
SCHEMBL8898947 0.79 TLR9 (0.51) TRIM58APPTLR7SOS1BCHE
SCHEMBL8898730 0.78 ACP1 (0.52) APPACHETOP2AACP1
SCHEMBL8889922 0.78 NPY5R (0.49) TRIM58APPTLR7SOS1BCHE

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 claimed