SCHEMBL13680848

SCHEMBL13680848

CN(C)c1ccc(-c2cccc(CCC=O)n2)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.40
MAPT P10636 2/20 0.39
KCNH2 Q12809 4/20 0.38
APP P05067 5/20 0.37
SCN9A Q15858 1/20 0.37
SYK P43405 4/20 0.36
AURKB Q96GD4 4/20 0.36
GRM2 Q14416 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MTOR P42345 1/20 0.35
NR3C1 P04150 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL13680831 0.83 PDE10A (0.37) ADKMAPTAPPSYK
SCHEMBL13680847 0.83 PDE10A (0.43) KCNH2SCN9ANPC1RAB9A
SCHEMBL13680846 0.81 MAPT (0.40) MAPTSCN9ASYK
SCHEMBL13680849 0.80 SCN9A (0.43) MAPTSCN9AMTOR
SCHEMBL13680826 0.79 PDE10A (0.42) KCNH2HDAC6
SCHEMBL13680834 0.79 PDE10A (0.39) MAPTPOLBRAB9A
SCHEMBL13680850 0.77 TRPV3 (0.53) KCNH2SCN9A
SCHEMBL13680954 0.76 KDM4E (0.40) MAPTAPPNPC1POLBGAA
SCHEMBL13680837 0.76 ALDH1A1 (0.40)
SCHEMBL3854280 0.76 MEN1 (0.50) KCNH2RAB9A

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