SCHEMBL3467028

SCHEMBL3467028

Fc1ccc(-c2cnc3c(N4CCOCC4)nccn23)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.60
PDE6A P16499 1/20 0.60
PDE1B Q01064 1/20 0.60
PDE3A Q14432 1/20 0.60
GRIA1 P42261 14/20 0.58
CACNG2 Q9Y698 4/20 0.58
CYP2C9 P11712 1/20 0.53
SLC6A3 Q01959 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL3467020 0.88 PDE5A (0.60) PDE5APDE6APDE1BPDE3AGRIA1
SCHEMBL3466485 0.86 GRIA1 (0.60) PDE5APDE6APDE1BPDE3AGRIA1
SCHEMBL3469571 0.80 PDE5A (0.63) PDE5APDE6APDE1BPDE3AGRIA1
SCHEMBL3467072 0.79 PDE5A (0.59) PDE5APDE6APDE1BPDE3AGRIA1
SCHEMBL18189806 0.77 GRIA1 (0.70) GRIA1CACNG2CYP2C9
SCHEMBL6937711 0.77 PDE5A (0.56) PDE5APDE6APDE1BPDE3ASLC6A3
SCHEMBL3467938 0.76 PDE5A (0.67) PDE5APDE6APDE1BPDE3AGRIA1
SCHEMBL3469763 0.76 DYRK1A (0.57) PDE5APDE6APDE1BPDE3AGRIA1
SCHEMBL2486922 0.76 PDE5A (0.58) PDE5APDE6APDE1BPDE3A
SCHEMBL3469240 0.75 PDE5A (1.00) PDE5APDE6APDE1BPDE3AGRIA1

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