SCHEMBL19281171

SCHEMBL19281171

Cc1ccc(C2CC2COc2cc(NCCc3cnn(C)c3)n3nccc3n2)nc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.69
NR1I2 O75469 1/20 0.69
CYP2C9 P11712 1/20 0.69

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
SCHEMBL14974475 1.00 PDE10A (0.69) PDE10ANR1I2CYP2C9
SCHEMBL14973890 1.00 PDE10A (0.69) PDE10ANR1I2CYP2C9
SCHEMBL14973852 0.84 PDE10A (0.79) PDE10ANR1I2CYP2C9
SCHEMBL14982004 0.84 PDE10A (0.79) PDE10ANR1I2CYP2C9
SCHEMBL14985156 0.82 PDE10A (1.00) PDE10ANR1I2CYP2C9
SCHEMBL14982001 0.82 PDE10A (1.00) PDE10ANR1I2CYP2C9
SCHEMBL14723037 0.77 PDE10A (1.00) PDE10ANR1I2CYP2C9
SCHEMBL14723429 0.77 PDE10A (1.00) PDE10ANR1I2CYP2C9
SCHEMBL14974640 0.75 PDE10A (0.54) PDE10A
SCHEMBL14973962 0.74 PDE10A (0.82) PDE10ANR1I2CYP2C9

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
EP-2621926-B1 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-08-30 EP claimed