SCHEMBL3547443

SCHEMBL3547443

CCCn1cc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCN(C)C)ccc3OCC)nc21

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.57
PDE1A P54750 2/20 0.49
PDE1B Q01064 1/20 0.49
PDE1C Q14123 1/20 0.49
PDE2A O00408 1/20 0.48
PDE9A O76083 1/20 0.48
PDE4A P27815 1/20 0.48
PDE6C P51160 1/20 0.48
PDE11A Q9HCR9 1/20 0.48
PDE10A Q9Y233 1/20 0.48
KDM4E B2RXH2 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
SCHEMBL3027989 0.93 PDE5A (0.53) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL3027973 0.88 PDE5A (0.62) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL3023331 0.88 PDE5A (0.62) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL3028372 0.87 PDE5A (0.63) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL3029660 0.86 PDE5A (0.64) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL13348812 0.85 PDE5A (0.55) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3017892 0.85 PDE5A (0.65) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL3012296 0.84 PDE5A (0.55) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3552285 0.83 ALDH1A1 (0.59) PDE5APDE1APDE1BPDE1C
SCHEMBL3027970 0.83 POLB (0.61) PDE5APDE1APDE1BPDE1C

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
US-7745433-B2 2-Substituted phenyl-5, 7-dihydrocarbyl-3, 7-dihydropyrrolo [2, 3-D] pyrimidin-4-one derivatives, the preparation and the pharmaceutical use thereof Yangtze River Pharmacuetical (Group) Co., Ltd. (CN) 2010-06-29 US claimed