SCHEMBL5261708

SCHEMBL5261708

CCCn1c(=O)n2cnnc2c2[nH]c(-c3cc(S(=O)(=O)N4CCN5CCC[C@H]5C4)ccc3OCC)c(Cl)c21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.46
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE1A P54750 2/20 0.39
PDE1B Q01064 2/20 0.39
PDE1C Q14123 2/20 0.39

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
SCHEMBL5265806 1.00 PDE5A (0.46) PDE5APDE3BPDE3APOLBSMN1; SMN2
SCHEMBL5262492 0.89 PDE5A (0.57) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5261461 0.89 PDE5A (0.44) PDE5A
SCHEMBL5262612 0.88 PDE5A (0.54) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5265802 0.88 PDE5A (0.45) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5830571 0.88 PDE5A (0.43) PDE5APOLBSMN1; SMN2
SCHEMBL5831062 0.88 PDE5A (0.43) PDE5APOLBSMN1; SMN2
SCHEMBL5261706 0.88 PDE5A (0.45) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL7167279 0.87 PDE5A (0.55) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6306656 0.87 PDE5A (0.55) PDE5APDE3BPDE3APDE1APDE1B

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-1307458-B1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES ALMIRALL LAB (ES) 2007-10-03 EP disclosed
US-7060824-B2 Pyrrolotriazolopyrimidinone derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2006-06-13 US disclosed