SCHEMBL4790504

SCHEMBL4790504

Cc1ccc2nn(CC(=O)CC3CCN(Cc4ccccc4)CC3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.50
ACHE P22303 4/20 0.50
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49

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
SCHEMBL4284928 0.77 BCHE (0.58) BCHEACHEDRD2DRD4
SCHEMBL9381126 0.77 DRD2 (0.52) BCHEACHEDRD2DRD4
SCHEMBL4696031 0.77 BCHE (0.55) BCHEACHEDRD2DRD4
SCHEMBL4790506 0.76 DCUN1D1 (0.44) BCHEACHE
SCHEMBL11095982 0.75 BCHE (0.58) BCHEACHE
Hydrochloric Acid SCHEMBL11128760 0.74 BCHE (0.59) BCHEACHE
SCHEMBL7501904 0.74 DRD2 (0.63) BCHEACHEDRD2DRD4
SCHEMBL4289978 0.73 BCHE (0.69) BCHEACHEDRD2DRD4
Hydrochloric Acid SCHEMBL9381094 0.73 BCHE (0.69) BCHEACHEDRD2DRD4
SCHEMBL9382105 0.72 DRD2 (0.54) BCHEACHEDRD2DRD4

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-1910380-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed