SCHEMBL8196822

SCHEMBL8196822

OCC1CCN(c2cc[c]cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.41
PDE4D Q08499 3/20 0.39
PDE2A O00408 2/20 0.38
PDE1B Q01064 2/20 0.38
LRRK2 Q5S007 1/20 0.38
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
RXRA P19793 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL16799727 0.84 MAP4K4 (0.49)
SCHEMBL8199221 0.81 SMPD3 (0.39) PDE10APDE4DMAPK8
SCHEMBL4778875 0.80 HRH3 (0.37) PDE10APDE4D
SCHEMBL1772389 0.78 CASP1 (0.43)
SCHEMBL8194170 0.78 MAPT (0.48)
SCHEMBL2067822 0.77 MAPT (0.36) PDE4D
SCHEMBL743397 0.77 MAPT (0.40)
SCHEMBL8199180 0.77 ALDH1A1 (0.46) PDE10ALRRK2
SCHEMBL27471254 0.76 GAA (0.46)
SCHEMBL182711 0.76 PLD1 (0.53)

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-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 WO claimed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 WO disclosed