SCHEMBL5065639

SCHEMBL5065639

CC(C)c1n[nH]c2c(=O)[nH]c(CC3CCCCC3NC(=O)CN3CCCC3)nc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 7/20 0.77
▸ PDE1C Q14123 5/20 0.53
▸ PDE5A O76074 2/20 0.45
▸ PDE1A P54750 1/20 0.45
▸ PDE1B Q01064 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TLR9 Q9NR96 3/20 0.31
▸ TLR8 Q9NR97 3/20 0.31
▸ TLR7 Q9NYK1 3/20 0.31
▸ PARP1 P09874 4/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL6695826 1.00 PDE9A (0.77) PDE9APDE1CPDE5APDE1APDE1B
SCHEMBL6692160 0.87 PDE9A (0.58) PDE9APDE1CPDE5APDE1APDE1B
SCHEMBL6695628 0.85 PDE9A (0.57) PDE9APDE1CPDE5APDE1APDE1B
SCHEMBL6689237 0.85 PDE9A (0.56) PDE9APDE1CPDE5APDE1APDE1B
SCHEMBL6686774 0.85 PDE9A (0.56) PDE9APDE1CPDE5APDE1APDE1B
Hydrochloric Acid SCHEMBL6758950 0.85 PDE9A (0.56) PDE9APDE1CPDE5APDE1APDE1B
Hydrochloric Acid SCHEMBL6763582 0.84 PDE9A (0.55) PDE9APDE1CPDE5APDE1APDE1B
Hydrochloric Acid SCHEMBL6875142 0.84 PDE9A (0.55) PDE9APDE1CPDE5APDE1APDE1B
SCHEMBL6694674 0.84 PDE9A (0.55) PDE9APDE1CPDE5APDE1APDE1B
Hydrochloric Acid SCHEMBL6756687 0.83 PDE9A (0.54) PDE9APDE1CPDE5APDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080282364-A1 Phosphodiesterase 9 Inhibition as Treatment for Obesity-Related Conditions BLACK SHAWN C 2008-11-13 — — US disclosed
EP-1686998-A1 PHOSPHODIESTERASE 9 INHIBITION AS TREATMENT FOR OBESITY-RELATED CONDITIONS Pfizer Products Inc. (US) 2006-08-09 — — EP disclosed
WO-2005041972-A1 PHOSPHODIESTERASE 9 INHIBITION AS TREATMENT FOR OBESITY-RELATED CONDITIONS PFIZER PRODUCTS INC. (US) 2005-05-12 — — WO disclosed
Send feedback