SCHEMBL4771671

SCHEMBL4771671

CN1CCN(CC(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 2/20 0.47
DRD4 P21917 5/20 0.45
DRD2 P14416 5/20 0.45
DRD3 P35462 2/20 0.45
NAMPT P43490 3/20 0.43
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
NPY1R P25929 1/20 0.42

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
SCHEMBL3527537 0.88 NAMPT (0.53) NR1I3DRD2NAMPTTLR9TLR8
SCHEMBL26666903 0.82 DRD2 (0.55) DRD2DRD3
SCHEMBL31671046 0.82 DRD2 (0.55) DRD2DRD3
SCHEMBL3530164 0.80 TERT (0.43) NR1I3DRD4DRD2NAMPT
SCHEMBL17920283 0.80 PRKCI (0.48) NAMPTNPY1R
SCHEMBL27741869 0.79 ACHE (0.45) DRD4DRD2NAMPTTLR9TLR8
SCHEMBL28030260 0.77 BTK (0.53) DRD2NPY1R
SCHEMBL3530693 0.77 TLR9 (0.48) DRD4DRD2DRD3NAMPTTLR9
SCHEMBL5190565 0.77 KMO (0.47) NPY1R
SCHEMBL27741867 0.76 TLR9 (0.41) DRD2NAMPTTLR9TLR8TLR7

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
EP-1937681-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 EP disclosed
WO-2007033232-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-22 WO disclosed