SCHEMBL3466485

SCHEMBL3466485

Fc1cccc(-c2cnc3c(N4CCOCC4)nccn23)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 10/20 0.60
PDE5A O76074 1/20 0.59
PDE6A P16499 1/20 0.59
PDE1B Q01064 1/20 0.59
PDE3A Q14432 1/20 0.59
SLC6A3 Q01959 1/20 0.48
FYN P06241 1/20 0.48
STK4 Q13043 1/20 0.47
STK3 Q13188 1/20 0.47
LRRK2 Q5S007 1/20 0.47
CACNG2 Q9Y698 4/20 0.47
CYP2C9 P11712 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
SCHEMBL3467072 0.86 PDE5A (0.59) GRIA1PDE5APDE6APDE1BPDE3A
SCHEMBL3467028 0.86 PDE5A (0.60) GRIA1PDE5APDE6APDE1BPDE3A
SCHEMBL3467938 0.84 PDE5A (0.67) GRIA1PDE5APDE6APDE1BPDE3A
SCHEMBL3469763 0.83 DYRK1A (0.57) GRIA1PDE5APDE6APDE1BPDE3A
SCHEMBL3467020 0.79 PDE5A (0.60) GRIA1PDE5APDE6APDE1BPDE3A
SCHEMBL3469571 0.78 PDE5A (0.63) GRIA1PDE5APDE6APDE1BPDE3A
SCHEMBL18190073 0.75 GRIA1 (1.00) GRIA1CACNG2
SCHEMBL3469240 0.74 PDE5A (1.00) GRIA1PDE5APDE6APDE1BPDE3A
SCHEMBL6937711 0.73 PDE5A (0.56) PDE5APDE6APDE1BPDE3ASLC6A3
SCHEMBL18198713 0.73 GRIA1 (0.78) GRIA1CACNG2CYP2C9

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
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO claimed
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO disclosed