SCHEMBL4752799

SCHEMBL4752799

OCC1CCN(c2nccc(Cl)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK10 P53779 1/20 0.45
PDE10A Q9Y233 12/20 0.45
DKK1 O94907 1/20 0.41
HIF1A Q16665 1/20 0.39

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
SCHEMBL20361212 0.88 MAPT (0.46) PANK3PDE10ADKK1
SCHEMBL20367372 0.85 PANK3 (0.45) PANK3DKK1
SCHEMBL31402773 0.83 SMO (0.50) PANK3DKK1
SCHEMBL31402771 0.83 SMO (0.50) PANK3DKK1
SCHEMBL11321905 0.80 TSHR (0.58)
SCHEMBL460460 0.79 KDM4E (0.56) MAPK8MAPK10PDE10AHIF1A
SCHEMBL14788209 0.78 MAPK8 (0.46) MAPK8MAPK10PDE10A
SCHEMBL10491619 0.77 PANK3 (0.38) PANK3PDE10ADKK1
SCHEMBL31402759 0.77 SMO (0.42) PANK3PDE10A
SCHEMBL31402767 0.77 SMO (0.42) PANK3PDE10A

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-2008140421-A2 HETEROCYCLOALKYL SUBSTITUTED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2008-11-20 WO disclosed