SCHEMBL6641779

SCHEMBL6641779

CCCc1cn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.81
PDE6A P16499 3/20 0.68
PDE3B Q13370 3/20 0.68
PDE3A Q14432 3/20 0.68
PDE2A O00408 2/20 0.68
PDE6D O43924 2/20 0.68
PDE9A O76083 2/20 0.68
PDE6G P18545 2/20 0.68
PDE4A P27815 2/20 0.68
ADORA1 P30542 2/20 0.68
ADRA1A P35348 2/20 0.68
PDE6B P35913 2/20 0.68
PDE6C P51160 2/20 0.68
PDE1A P54750 2/20 0.68
PDE1B Q01064 2/20 0.68
PDE4B Q07343 2/20 0.68
PDE4C Q08493 2/20 0.68
PDE4D Q08499 2/20 0.68
KCNH2 Q12809 2/20 0.68
CACNA1C Q13936 2/20 0.68

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
SCHEMBL6529760 0.95 PDE5A (0.84) PDE5APDE6APDE3BPDE3APDE2A
Hydrochloric Acid SCHEMBL6641810 0.94 PDE5A (0.82) PDE5APDE6APDE3BPDE3APDE2A
SCHEMBL6486204 0.94 PDE5A (0.79) PDE5APDE6APDE3BPDE3APDE2A
SCHEMBL6485584 0.93 PDE5A (0.81) PDE5APDE6APDE3BPDE3APDE2A
SCHEMBL6640664 0.93 PDE5A (0.80) PDE5APDE6APDE3BPDE3APDE2A
SCHEMBL6641871 0.93 PDE5A (0.80) PDE5APDE6APDE3BPDE3APDE2A
Hydrochloric Acid SCHEMBL6641603 0.93 PDE5A (0.78) PDE5APDE6APDE3BPDE3APDE2A
SCHEMBL6641774 0.92 PDE5A (0.82) PDE5APDE6APDE3BPDE3APDE2A
Hydrochloric Acid SCHEMBL6643457 0.92 PDE5A (0.80) PDE5APDE6APDE3BPDE3APDE2A
Hydrochloric Acid SCHEMBL6645051 0.92 PDE5A (0.79) PDE5APDE6APDE3BPDE3APDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257553-B1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK CHEMICALS CO LTD (KR) 2004-05-26 EP disclosed