SCHEMBL5796409

SCHEMBL5796409

CCOC(=O)CCNc1cc(-c2ccc(Br)cc2)nc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.64
TOP2A P11388 2/20 0.58
ACP1 P24666 5/20 0.52
SLC2A1 P11166 1/20 0.50

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
SCHEMBL8270941 0.94 TOP2A (0.60) PDE10ATOP2AACP1SLC2A1
SCHEMBL8269556 0.91 PDE10A (0.78) PDE10ATOP2AACP1SLC2A1
SCHEMBL8268944 0.87 PDE10A (0.48) PDE10ATOP2AACP1
SCHEMBL8269553 0.87 PDE10A (0.66) PDE10ATOP2AACP1SLC2A1
SCHEMBL5795056 0.86 PDE10A (0.77) PDE10AACP1SLC2A1
SCHEMBL8269555 0.85 PDE10A (0.61) PDE10ATOP2AACP1SLC2A1
SCHEMBL8268354 0.85 PDE10A (0.84) PDE10ATOP2AACP1
SCHEMBL8269560 0.83 PDE10A (0.58) PDE10ATOP2AACP1
SCHEMBL8268929 0.82 PDE10A (0.57) PDE10ATOP2AACP1SLC2A1
SCHEMBL8271027 0.81 ACP1 (0.49) PDE10ATOP2AACP1

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
WO-2006034512-A2 PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-30 WO disclosed
WO-2006034491-A2 PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-30 WO disclosed