SCHEMBL2361779

SCHEMBL2361779

CCCC1CC(=O)N(Cc2c(-c3ccccc3)[nH]c3ncccc23)C1.CCCC1CC(=O)N(Cc2c(C(C)C)[nH]c3ncccc23)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.37
CNR1 P21554 1/20 0.35
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
GCK P35557 2/20 0.32
TBXAS1 P24557 1/20 0.32
MAPT P10636 1/20 0.31
FNTA P49354 3/20 0.31
FNTB P49356 3/20 0.31
HTT P42858 1/20 0.31
CYBB P04839 1/20 0.31
NOX4 Q9NPH5 1/20 0.31
NOX1 Q9Y5S8 1/20 0.31
APOL1 O14791 1/20 0.30
BUB1 O43683 1/20 0.30
PKM P14618 1/20 0.30
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
GSK3A P49840 1/20 0.30

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
SCHEMBL5052540 0.93 ALK (0.41) ALKCNR1ADORA2AADORA1MAPT
SCHEMBL5055934 0.92 ALK (0.36) ALKGCKTBXAS1MAPTHTT
SCHEMBL2360463 0.78 ALK (0.37) ALKMAPTHTTPKM
SCHEMBL5055429 0.71 DRD4 (0.47)
SCHEMBL16061666 0.70 PDE10A (0.40)
SCHEMBL2337173 0.69 PDE5A (0.35) ADORA2AGSK3B
SCHEMBL2332850 0.68 HTT (0.45) MAPTHTT
SCHEMBL2329264 0.68 TNF (0.36) MAPT
SCHEMBL5061091 0.68 KCNQ3 (0.41) MAPT
SCHEMBL6667384 0.66 HTR2A (0.50) ALKCNR1MAPTCCNB2CDK1

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
EP-2533645-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2012-12-19 EP disclosed
WO-2011100373-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2011-08-18 WO disclosed