SCHEMBL8660141

SCHEMBL8660141

CCOP(=O)(CC)OCCCCn1cnc2c1c(=O)n(CCOC)c(=O)n2C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.53
PDE4A P27815 4/20 0.53
ADORA2A P29274 4/20 0.53
PDE4B Q07343 3/20 0.53
PDE4C Q08493 3/20 0.53
PDE4D Q08499 3/20 0.53
LMNA P02545 1/20 0.49
ESR1 P03372 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
ACHE P22303 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
TNF P01375 2/20 0.44
MAPK1 P28482 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL8656403 0.96 ADORA2B (0.55) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL8660068 0.95 ADORA2B (0.54) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL8660222 0.93 ADORA2B (0.56) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL8656830 0.92 PDE4A (0.48) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL8656053 0.91 PDE4A (0.53) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL8656410 0.91 PDE4A (0.61) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL8660013 0.90 PDE4A (0.60) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL8660178 0.90 PDE4A (0.51) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL7465081 0.90 ADORA2B (0.55) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL8657417 0.89 PDE4A (0.47) ADORA2BPDE4AADORA2APDE4BPDE4C

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