SCHEMBL13680834

SCHEMBL13680834

Cc1ccc(-c2cccc(CCC=O)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.39
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
HSD11B1 P28845 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA3 P0DMS8 4/20 0.36
TRPV3 Q8NET8 2/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
CTSA P10619 1/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SREBF2 Q12772 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
SCHEMBL3854280 0.85 MEN1 (0.50) PDE10ATRPV3ALDH1A1MEN1KMT2A
SCHEMBL13680815 0.84 PDE10A (0.46) PDE10ASMN1; SMN2ADORA3MAPTALDH1A1
SCHEMBL13680847 0.84 PDE10A (0.43) PDE10ATRPV3IRAK4RAB9A
SCHEMBL13680825 0.84 MAPT (0.41) PDE10ANOS1SMN1; SMN2ADORA3TRPV3
SCHEMBL13680831 0.84 PDE10A (0.37) PDE10ASMN1; SMN2TRPV3MAPT
SCHEMBL13680818 0.81 TRPV3 (0.52) PDE10AADORA3TRPV3
SCHEMBL13681282 0.81 SCN9A (0.43) HSD11B1
SCHEMBL13680830 0.81 RARA (0.44) PDE10ASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL13680840 0.80 RAB9A (0.41) SMN1; SMN2MAPTALDH1A1HPGDMEN1
SCHEMBL13680827 0.80 KMT2A (0.50) PDE10ASMN1; SMN2MAPTALDH1A1HPGD

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