SCHEMBL7436236

SCHEMBL7436236

CC1CC(=O)NN=C1c1ccc2c(c1)C(C)(C)C(=O)N2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 1.00
PDE4B Q07343 4/20 1.00
PDE4C Q08493 4/20 1.00
PDE4D Q08499 4/20 1.00
PDE3B Q13370 16/20 0.68
PDE3A Q14432 16/20 0.68
CREBBP Q92793 1/20 0.51

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
SCHEMBL11318875 0.84 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7344243 0.81 PDE3B (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7435984 0.79 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11082512 0.79 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11092896 0.79 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11085890 0.77 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7427721 0.77 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31123125 0.77 PDE3B (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7426790 0.77 PDE3B (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11329147 0.76 PDE3B (0.80) PDE4APDE4BPDE4CPDE4DPDE3B

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
US-4647564-A PYRIDAZINONE DERIVATIVES ELI LILLY AND COMPANY (US) 1987-03-03 US disclosed
EP-0161918-A2 Indoline and 2-indolinone derivatives ELI LILLY AND COMPANY (US) 1985-11-21 EP disclosed