SCHEMBL8714845

SCHEMBL8714845

CC1(C)CC(c2ccc3c(c2)CC(N)C3)=NNC1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
KCNH2 Q12809 2/20 0.43
PDE3B Q13370 9/20 0.38
PDE3A Q14432 9/20 0.38
PDE4B Q07343 8/20 0.38
PDE4A P27815 7/20 0.38
PDE4C Q08493 7/20 0.38
PDE4D Q08499 7/20 0.38
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

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
SCHEMBL8720176 0.81 NR1H2 (0.41) HRH3KCNH2
SCHEMBL8720091 0.77 HRH3 (0.41) HRH3PDE3BPDE3APDE4BPDE4A
SCHEMBL8303766 0.76 PDE3B (0.51) KCNH2PDE3BPDE3APDE4BPDE4A
SCHEMBL20138742 0.75 HRH3 (0.53) HRH3KCNH2PDE3BPDE3APDE4B
SCHEMBL6405046 0.73 PDE3B (0.44) HRH3KCNH2PDE3BPDE3APDE4B
SCHEMBL20159394 0.72 HRH3 (0.50) HRH3KCNH2PDE3BPDE3APDE4B
SCHEMBL11568277 0.72 HRH3 (0.50) HRH3KCNH2PDE3BPDE3APDE4B
SCHEMBL9414700 0.70 PDE3B (0.50) KCNH2PDE3BPDE3APDE4BPDE4A
SCHEMBL21821442 0.69 PDE4B (0.55) HRH3KCNH2PDE3BPDE3APDE4B
SCHEMBL20529210 0.69 PDE4B (0.55) HRH3KCNH2PDE3BPDE3APDE4B

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