SCHEMBL13680831

SCHEMBL13680831

CN(C)c1ccc(-c2cccc(CCC=O)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.37
PARP1 P09874 1/20 0.36
APP P05067 6/20 0.35
ADK P55263 3/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2A13 Q16696 1/20 0.35
SYK P43405 2/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AOC3 Q16853 1/20 0.34
TRPV3 Q8NET8 1/20 0.33

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
SCHEMBL13680834 0.84 PDE10A (0.39) PDE10AMAPTSMN1; SMN2TRPV3
SCHEMBL13680848 0.83 ADK (0.40) APPADKSYKMAPT
SCHEMBL3854280 0.82 MEN1 (0.50) PDE10ATRPV3
SCHEMBL13680837 0.81 ALDH1A1 (0.40)
SCHEMBL13680815 0.80 PDE10A (0.46) PDE10APARP1MAPTSMN1; SMN2
SCHEMBL13680825 0.80 MAPT (0.41) PDE10AMAPTSMN1; SMN2TRPV3
SCHEMBL13680842 0.78 RAB9A (0.45) MAPTSMN1; SMN2
SCHEMBL13680841 0.78 TSHR (0.40) AOC3
SCHEMBL13680847 0.77 PDE10A (0.43) PDE10ACYP2A6TRPV3
SCHEMBL13680830 0.77 RARA (0.44) PDE10ASMN1; SMN2

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed