SCHEMBL28826515

SCHEMBL28826515

CCCCc1nc2cccc(C)c2c(=O)n1Cc1ccc(OC(=O)C2CCCC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
AGTR1 P30556 2/20 0.40
AGTR2 P50052 2/20 0.40
TP53 P04637 3/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL7421353 0.83 PPARG (0.43) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL245599 0.77 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL7422046 0.77 AGTR1 (0.41) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL245600 0.75 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL7423441 0.67 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL7423304 0.65 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL244242 0.65 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL27780658 0.65 KCNH2 (0.40)
SCHEMBL9845720 0.65 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL28451245 0.64 PIK3CD (0.50) PDE4APDE4BPDE4CPDE4DTP53

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
CN-102861019-B The medicine for the treatment of or prevention neuropathic pain NOVARTIS AG (CH) 2016-05-25 CN disclosed
CN-102885818-B The method for the treatment of or prophylaxis inflammatory pain NOVARTIS AG (CH) 2016-05-04 CN disclosed