SCHEMBL6380593

SCHEMBL6380593

CC#CCn1cnc2c1c(=O)n(C)c(=O)n2CC(C)(C)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.48
PDE4B Q07343 10/20 0.48
PDE4C Q08493 10/20 0.48
PDE4D Q08499 10/20 0.48
ADORA2B P29275 9/20 0.48
ADORA2A P29274 6/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
TRPA1 O75762 1/20 0.44

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
SCHEMBL6381756 0.84 PDE1A (0.61) ADORA2BSMN1; SMN2
SCHEMBL2957435 0.83 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL6383651 0.83 KMT2A (0.37) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL6380596 0.78 SMN1; SMN2 (0.44) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL6381931 0.75 RXFP1 (0.40) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL5771868 0.74 TRPA1 (0.41) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL5790131 0.71 TRPA1 (0.38) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL6381646 0.71 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL6383655 0.71 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL28319203 0.69 ADORA2B (0.56) PDE4APDE4BPDE4CPDE4DADORA2B

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
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP disclosed