SCHEMBL3662577

SCHEMBL3662577

CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(C4CCCCN4C(C)(C)C)cc3)nc21

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 6/20 0.79
PDE1A P54750 4/20 0.79
PDE1C Q14123 4/20 0.79
PDE2A O00408 5/20 0.45
PDE4D Q08499 1/20 0.45
PDE4A P27815 9/20 0.42
PDE8A O60658 2/20 0.36
PDE5A O76074 2/20 0.36
PDE3B Q13370 2/20 0.36
PDE11A Q9HCR9 2/20 0.36
PDE7B Q9NP56 2/20 0.36
PDE10A Q9Y233 2/20 0.36
PDE9A O76083 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1654131 0.91 PDE1B (0.95) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL11962052 0.91 PDE1B (0.95) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL8045666 0.90 PDE1B (0.80) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL1654115 0.88 PDE1B (1.00) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL11962054 0.88 PDE1B (1.00) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL11903636 0.88 PDE1B (0.79) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL1652846 0.87 PDE1B (0.73) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL16130289 0.87 PDE1B (0.79) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL1653711 0.85 PDE1B (0.76) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL3094574 0.85 PDE1B (0.76) PDE1BPDE1APDE1CPDE2APDE4D

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-2240028-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2010-10-20 EP disclosed
WO-2009073210-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC (US) 2009-06-11 WO disclosed