SCHEMBL8170394

SCHEMBL8170394

CN(C)CC(=O)NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CN5CCCN(C)CC5)cc4)c3)c2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 2/20 0.39
PDE4B Q07343 5/20 0.37
TNIK Q9UKE5 1/20 0.37
SLC2A1 P11166 2/20 0.36
AXL P30530 2/20 0.36
FLT3 P36888 2/20 0.36
TYRO3 Q06418 2/20 0.36
MERTK Q12866 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHKA P35790 2/20 0.35
WNT1 P04628 1/20 0.35
DYRK1A Q13627 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
SMO Q99835 1/20 0.35
MCHR1 Q99705 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ADRB2 P07550 1/20 0.35

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
SCHEMBL3019156 1.00 AVPR1B (0.39) AVPR1BPDE4BTNIKSLC2A1AXL
SCHEMBL870165 0.93 AVPR1B (0.44) AVPR1BPDE4BTNIKSLC2A1AXL
SCHEMBL870166 0.93 AVPR1B (0.44) AVPR1BPDE4BTNIKSLC2A1AXL
SCHEMBL870450 0.92 AVPR1B (0.43) AVPR1BPDE4BSLC2A1AXLFLT3
SCHEMBL870449 0.92 AVPR1B (0.43) AVPR1BPDE4BSLC2A1AXLFLT3
SCHEMBL3030807 0.92 AVPR1B (0.41) AVPR1BPDE4BTNIKSLC2A1AXL
SCHEMBL3030814 0.92 AVPR1B (0.41) AVPR1BPDE4BTNIKSLC2A1AXL
SCHEMBL870300 0.91 AVPR1B (0.39) AVPR1BPDE4BSLC2A1AXLFLT3
SCHEMBL870299 0.91 AVPR1B (0.39) AVPR1BPDE4BSLC2A1AXLFLT3
SCHEMBL870597 0.89 PDE4B (0.38) AVPR1BPDE4BTNIKSLC2A1AXL

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-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO disclosed