SCHEMBL8190859

SCHEMBL8190859

COc1ccc(N(C)C(=O)c2ccccc2[N+](=O)[O-])cc1OC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.57
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.46
PDE4B Q07343 10/20 0.44
PDE4D Q08499 9/20 0.44
PDE4A P27815 8/20 0.44
PDE4C Q08493 8/20 0.44
POLB P06746 1/20 0.42

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
SCHEMBL7415380 0.79 HTT (0.76) PDE5AALDH1A1HTTPDE4BPDE4D
SCHEMBL7468318 0.75 PDE4B (0.55) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL4402865 0.75 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL1388279 0.74 PDE5A (0.60) PDE5APDE4BPDE4DPDE4APDE4C
SCHEMBL8484272 0.74 MAPT (0.54) PDE5AALDH1A1LMNAHTTPOLB
SCHEMBL8484276 0.74 MAPT (0.54) PDE5AALDH1A1LMNAHTTPOLB
SCHEMBL4407286 0.73 PDE4A (0.51) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL8119187 0.73 HTT (0.62) PDE5AALDH1A1LMNAHTTPDE4B
SCHEMBL7337371 0.73 PDE5A (1.00) PDE5AALDH1A1PDE4BPDE4DPDE4A
SCHEMBL12923593 0.72 PDE4B (0.58) PDE4BPDE4DPDE4APDE4CPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096747-A Phenylaminocarbonyl derivatives and processes for their preparation CELLTECH THERAPEUTICS LIMITED (GB) 2000-08-01 US disclosed
EP-0607373-B1 TRISUBSTITUTED PHENYL DERIVATIVES AS SELECTIVE PHOSPHODIESTERASE IV INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 1997-03-19 EP disclosed
US-5550137-A Phenylaminocarbonyl derivatives CELLTECH THERAPEUTICS LIMITED (GB) 1996-08-27 US disclosed