SCHEMBL8658574

SCHEMBL8658574

CCCn1cnc2c1c(=O)n(CCCCOP(=O)(CC)OCC)c(=O)n2CC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.50
PDE4B Q07343 11/20 0.50
PDE4C Q08493 11/20 0.50
PDE4D Q08499 11/20 0.50
ADORA2A P29274 9/20 0.50
ADORA2B P29275 6/20 0.50
CYP1A2 P05177 2/20 0.49
BLM P54132 2/20 0.49
PMP22 Q01453 2/20 0.49
LMNA P02545 1/20 0.49
ESR1 P03372 1/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
ACHE P22303 1/20 0.49
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TNF P01375 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
SCHEMBL8661863 0.99 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8660211 0.93 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8657289 0.92 ADORA2A (0.55) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8658804 0.91 ADORA2A (0.54) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8656410 0.91 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8657245 0.90 ADORA2A (0.45) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8660013 0.90 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8660124 0.89 ADORA2A (0.57) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8657792 0.89 ADORA2A (0.56) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7455387 0.89 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DADORA2A

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-5728686-A TREATMENT OF MUSCULAR DYSTROPHY HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-17 US disclosed