SCHEMBL5795056

SCHEMBL5795056

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

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.77
SLC2A1 P11166 2/20 0.57
ACP1 P24666 1/20 0.54
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL5796409 0.86 PDE10A (0.64) PDE10ASLC2A1ACP1
SCHEMBL8269590 0.83 PDE10A (1.00) PDE10ASLC2A1ACP1
SCHEMBL8270983 0.83 PDE10A (0.83) PDE10ASLC2A1ACP1
SCHEMBL8268397 0.82 PDE10A (0.72) PDE10ASLC2A1ACP1
SCHEMBL8270941 0.82 TOP2A (0.60) PDE10ASLC2A1ACP1
SCHEMBL8269889 0.79 PDE10A (0.69) PDE10ASLC2A1ACP1
SCHEMBL15919345 0.78 ACP1 (0.51) PDE10AACP1RXFP1
SCHEMBL8270988 0.77 PDE10A (0.73) PDE10ASLC2A1ACP1
SCHEMBL8270997 0.77 PDE10A (0.64) PDE10ASLC2A1ACP1
SCHEMBL8269556 0.75 PDE10A (0.78) PDE10ASLC2A1ACP1

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 3 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
WO-2006034512-A2 PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-30 WO disclosed