SCHEMBL10887128

SCHEMBL10887128

CC1NC(=O)NN=C1c1ccc(N2CCCNC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 8/20 0.42
▸ PDE3A Q14432 8/20 0.42
▸ PDE4A P27815 2/20 0.42
▸ PDE4B Q07343 2/20 0.42
▸ PDE4C Q08493 2/20 0.42
▸ PDE4D Q08499 2/20 0.42
▸ GPR119 Q8TDV5 1/20 0.38
▸ SLC6A2 P23975 6/20 0.36
▸ SLC6A4 P31645 6/20 0.36
▸ SLC6A3 Q01959 5/20 0.36
▸ PDE2A O00408 2/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ HRH3 Q9Y5N1 4/20 0.33
▸ F10 P00742 1/20 0.32
▸ KCNH2 Q12809 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
SCHEMBL10888967 0.84 AKR1C3 (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10889047 0.80 PDE3B (0.52) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10891315 0.75 PDE3B (0.67) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10371084 0.73 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7295733 0.73 PDE3B (0.52) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10887841 0.73 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7319060 0.72 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10809454 0.72 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10851310 0.70 PDE3B (0.52) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10815443 0.70 PDE3B (0.52) PDE3BPDE3APDE4APDE4BPDE4C

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-4616015-A HYPOTENSIVE AGENT, ANTULCER AGENT, ANTICOAGULANT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-07 — — US disclosed
EP-0122627-A2 Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-24 — — EP disclosed
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