SCHEMBL10549446

SCHEMBL10549446

CC(=O)N1CCN(c2ccc(C3=NNC(=O)CC3C)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 13/20 0.53
▸ PDE3A Q14432 13/20 0.53
▸ ALDH1A1 P00352 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ GFER P55789 1/20 0.50
▸ GPR119 Q8TDV5 1/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.44
▸ PDE4A P27815 3/20 0.44
▸ PDE4B Q07343 3/20 0.44
▸ PDE4C Q08493 3/20 0.44
▸ PDE4D Q08499 3/20 0.44
▸ GAA P10253 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL10555473 0.83 PDE3B (0.53) PDE3BPDE3AMAPTHRH3
SCHEMBL16156994 0.82 PDE3B (0.72) PDE3BPDE3AALDH1A1KDM4EMAPT
SCHEMBL16156986 0.82 PDE3B (0.72) PDE3BPDE3AALDH1A1KDM4EMAPT
SCHEMBL7266778 0.79 MAPT (0.61) PDE3BPDE3AALDH1A1KDM4EMAPT
SCHEMBL10548993 0.77 PDE3B (0.54) PDE3BPDE3AHRH3PDE4APDE4B
SCHEMBL10553519 0.77 PDE3B (0.54) PDE3BPDE3AHRH3PDE4APDE4B
SCHEMBL10549361 0.76 PDE3B (0.50) PDE3BPDE3AMAPTGPR119HRH3
SCHEMBL10517762 0.76 GPR119 (0.51) PDE3BPDE3AALDH1A1KDM4EMAPT
SCHEMBL10517769 0.76 PDE3B (0.55) PDE3BPDE3AALDH1A1KDM4EMAPT
SCHEMBL10553072 0.76 PDE3B (0.50) PDE3BPDE3AHRH3PDE4APDE4B

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-4847251-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-07-11 — — US disclosed
EP-0255704-A2 Pyridazinone derivatives, process for their preparation and their use as medicines Roche Diagnostics GmbH (DE) 1988-02-10 — — EP disclosed
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