SCHEMBL8720091

SCHEMBL8720091

CC1(C)CC(=O)NN=C1c1ccc2c(c1)CC(N)C2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
PDE3B Q13370 8/20 0.37
PDE3A Q14432 8/20 0.37
PDE4B Q07343 6/20 0.36
PDE4A P27815 5/20 0.36
PDE4C Q08493 5/20 0.36
PDE4D Q08499 5/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
NEK1 Q96PY6 1/20 0.34
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
GRIA2 P42262 1/20 0.32

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
SCHEMBL9571268 0.78 HRH3 (0.45) HRH3PDE3BPDE3APDE4BPDE4A
SCHEMBL8714845 0.77 HRH3 (0.44) HRH3PDE3BPDE3APDE4BPDE4A
SCHEMBL8720034 0.76 HDAC8 (0.42) HRH3GRIA2
SCHEMBL5184219 0.75 HRH3 (0.46) HRH3PDE3BPDE3APDE4BPDE4A
SCHEMBL6401437 0.74 PDE3B (0.42) HRH3PDE3BPDE3APDE4BPDE4A
SCHEMBL11366945 0.74 HRH3 (0.42) HRH3PDE3BPDE3APDE4BPDE4A
SCHEMBL8303766 0.73 PDE3B (0.51) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL5183009 0.73 TDP2 (0.41) HRH3PDE3BPDE3APDE4B
SCHEMBL5335003 0.72 HRH3 (0.46) HRH3PDE3BPDE3APDE4BMAPT
SCHEMBL6400233 0.72 PDE4B (0.52) HRH3PDE3BPDE3APDE4BPDE4A

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
US-5739132-A ENDOTHOXIN SHOCK; NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 US disclosed
EP-0579059-A1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1994-01-19 EP disclosed