SCHEMBL8270941

SCHEMBL8270941

CCOC(=O)CCCNc1cc(-c2ccc(Br)cc2)nc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.60
PDE10A Q9Y233 3/20 0.59
PDE5A O76074 1/20 0.57
ELANE P08246 1/20 0.54
SLC2A1 P11166 1/20 0.54
ACP1 P24666 3/20 0.53

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 0.94 PDE10A (0.64) TOP2APDE10ASLC2A1ACP1
SCHEMBL8270104 0.87 PDE10A (0.61) TOP2APDE10APDE5AELANESLC2A1
SCHEMBL8271027 0.87 ACP1 (0.49) TOP2APDE10APDE5AELANEACP1
SCHEMBL8270103 0.86 PDE10A (0.56) TOP2APDE10APDE5AELANESLC2A1
SCHEMBL8270101 0.86 PDE10A (0.78) TOP2APDE10APDE5AELANESLC2A1
SCHEMBL8269556 0.85 PDE10A (0.78) TOP2APDE10ASLC2A1ACP1
SCHEMBL8270100 0.84 ACP1 (0.55) TOP2APDE10APDE5AELANESLC2A1
SCHEMBL5795056 0.82 PDE10A (0.77) PDE10ASLC2A1ACP1
SCHEMBL8269553 0.81 PDE10A (0.66) TOP2APDE10APDE5ASLC2A1ACP1
SCHEMBL8268944 0.81 PDE10A (0.48) TOP2APDE10AACP1

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 1 patent. 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