SCHEMBL13680654

SCHEMBL13680654

Cc1cccc(-c2cnc(N3CCOCC3)nc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 11/20 0.54
CNR2 P34972 2/20 0.53
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
STK4 Q13043 1/20 0.51
STK3 Q13188 1/20 0.51
LRRK2 Q5S007 1/20 0.51
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
GRIN2B Q13224 2/20 0.47
KCNH2 Q12809 1/20 0.47
PIK3CA P42336 1/20 0.47
MTOR P42345 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL13680656 0.86 AOC3 (0.51) AOC3GRIN2BKDM4ENPC1ALDH1A1
SCHEMBL13606215 0.85 AOC3 (0.52) AOC3CNR2MAPTTP53GRIN2B
SCHEMBL4582036 0.82 ADRB1 (0.54) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30494244 0.82 MAP4K4 (0.54) AOC3CNR2PIK3CAMTOR
SCHEMBL24721288 0.82 PSEN1 (0.56) AOC3CNR2PSEN1PSEN2APH1B
SCHEMBL12611866 0.80 MAPT (0.45) AOC3CNR2MAPTTP53POLB
SCHEMBL15344111 0.79 PIK3CA (0.53) AOC3CNR2MAPTPOLBLRRK2
SCHEMBL12525685 0.79 AOC3 (0.65) AOC3CNR2
SCHEMBL14992908 0.79 AOC3 (0.62) AOC3CNR2LRRK2PIK3CAMTOR
SCHEMBL12525667 0.79 AOC3 (0.59) AOC3CNR2KCNH2MTORKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed
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