SCHEMBL3473549

SCHEMBL3473549

COc1ccccc1-c1cnc2c(N3CCOCC3)nccn12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.67
PDE6A P16499 1/20 0.67
PDE1B Q01064 1/20 0.67
PDE3A Q14432 1/20 0.67
SLC6A3 Q01959 1/20 0.50
STK4 Q13043 1/20 0.49
STK3 Q13188 1/20 0.49
LRRK2 Q5S007 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
USP2 O75604 1/20 0.48
CYP2D6 P10635 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL3469600 0.82 PDE5A (0.46) PDE5APDE6APDE1BPDE3ACYP1A2
SCHEMBL3469240 0.80 PDE5A (1.00) PDE5APDE6APDE1BPDE3ASLC6A3
SCHEMBL3467938 0.78 PDE5A (0.67) PDE5APDE6APDE1BPDE3ASLC6A3
SCHEMBL3467028 0.75 PDE5A (0.60) PDE5APDE6APDE1BPDE3ASLC6A3
SCHEMBL5404986 0.74 FLT3 (0.52) LRRK2CYP1A2CYP3A4MAPK1CYP2D6
SCHEMBL5404980 0.73 MAPT (0.41) PDE5APDE6APDE1BPDE3ACYP1A2
SCHEMBL3467020 0.73 PDE5A (0.60) PDE5APDE6APDE1BPDE3ASLC6A3
SCHEMBL6937711 0.73 PDE5A (0.56) PDE5APDE6APDE1BPDE3ASLC6A3
SCHEMBL14349473 0.72 TRPM8 (0.56) PDE5APDE6APDE1BPDE3ASTK4
SCHEMBL30455146 0.72 TRPM8 (0.56) PDE5APDE6APDE1BPDE3ASTK4

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