SCHEMBL8270100

SCHEMBL8270100

CCOC(=O)CCCNc1cc(-c2ccc(-c3cccc(C(F)(F)F)c3)cc2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 5/20 0.55
PDE10A Q9Y233 4/20 0.54
TOP2A P11388 1/20 0.52
PDE5A O76074 1/20 0.52
SLC2A1 P11166 1/20 0.49
ELANE P08246 1/20 0.48

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
SCHEMBL8269560 0.95 PDE10A (0.58) ACP1PDE10ATOP2A
SCHEMBL8269603 0.91 ACP1 (0.46) ACP1PDE10ATOP2APDE5A
SCHEMBL8270103 0.89 PDE10A (0.56) ACP1PDE10ATOP2APDE5ASLC2A1
SCHEMBL8270104 0.88 PDE10A (0.61) ACP1PDE10ATOP2APDE5ASLC2A1
SCHEMBL8271003 0.88 PDE10A (0.62) ACP1PDE10ASLC2A1
SCHEMBL8268929 0.87 PDE10A (0.57) ACP1PDE10ATOP2APDE5ASLC2A1
SCHEMBL8271029 0.85 PDE10A (0.46) ACP1PDE10ATOP2A
SCHEMBL8268366 0.84 PDE5A (0.76) ACP1TOP2APDE5AELANE
SCHEMBL8270941 0.84 TOP2A (0.60) ACP1PDE10ATOP2APDE5ASLC2A1
SCHEMBL8269555 0.83 PDE10A (0.61) ACP1PDE10ATOP2ASLC2A1

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