SCHEMBL5344822

SCHEMBL5344822

COc1ccc2c(c1)N(c1ccc(C=O)cc1)C(=O)N(C(C)C)N=C2C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 17/20 0.53
CCKBR P32239 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
BRD4 O60885 1/20 0.34

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
SCHEMBL5284221 0.89 PTH1R (0.53) PTH1RPDE4APDE4BPDE4CPDE4D
SCHEMBL5343663 0.88 PTH1R (0.62) PTH1R
SCHEMBL5355965 0.87 PTH1R (0.55) PTH1R
SCHEMBL5328196 0.87 PTH1R (0.52) PTH1R
SCHEMBL5326300 0.86 PTH1R (0.48) PTH1RPDE4APDE4BPDE4CPDE4D
SCHEMBL5350400 0.85 PTH1R (0.51) PTH1RPDE4APDE4BPDE4CPDE4D
SCHEMBL5345828 0.85 PTH1R (0.47) PTH1RPDE4APDE4BPDE4CPDE4D
SCHEMBL5343741 0.82 PTH1R (0.80) PTH1R
SCHEMBL5322907 0.82 PTH1R (0.49) PTH1R
SCHEMBL5329534 0.80 PTH1R (0.48) PTH1RCCKBR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861411-A2 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF LABORATOIRES FOURNIER S.A. (FR) 2007-12-05 EP disclosed
WO-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO disclosed
WO-2006100413-A9 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF FOURNIER LAB SA (FR) 2007-10-18 WO disclosed
WO-2006100413-A2 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF LABORATOIRES FOURNIER S.A. (FR) 2006-09-28 WO disclosed