SCHEMBL6232071

SCHEMBL6232071

COc1ccc(C2C=NN(C)C(=O)C2)cc1OCC1(c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.40
PDE4B Q07343 6/20 0.40
PDE4C Q08493 5/20 0.40
PDE4D Q08499 5/20 0.40
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
MAOB P27338 1/20 0.34
PDE1C Q14123 1/20 0.34

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
SCHEMBL6229121 0.86 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6228447 0.82 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCHRM5
SCHEMBL6227157 0.82 SIGMAR1 (0.48) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6232717 0.79 PDE4B (0.50) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6232676 0.79 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6230195 0.79 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6234381 0.79 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6231023 0.78 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6233098 0.76 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL7914385 0.76 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCHRM5

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
EP-0933366-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2005-04-06 EP disclosed
US-6235739-B1 ANTIINFLAMMATORY AGENTS; ANTIHISTAMINES; SKIN DISORDERS NIKKEN CHEMICALS CO., LTD. (JP) 2001-05-22 US disclosed
EP-0933366-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-08-04 EP disclosed