SCHEMBL10371084

SCHEMBL10371084

CC1CC(=O)NN=C1c1ccc(N2CCNC2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 13/20 0.64
▸ PDE3A Q14432 13/20 0.64
▸ PDE4A P27815 2/20 0.61
▸ PDE4B Q07343 2/20 0.61
▸ PDE4C Q08493 2/20 0.61
▸ PDE4D Q08499 2/20 0.61
▸ PDE2A O00408 1/20 0.53
▸ PDE1A P54750 1/20 0.53
▸ PDE1B Q01064 1/20 0.53
▸ PDE1C Q14123 1/20 0.53
▸ HRH3 Q9Y5N1 4/20 0.50
▸ KCNH2 Q12809 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ GALR3 O60755 1/20 0.48
▸ THRB P10828 1/20 0.48

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
SCHEMBL10549361 0.83 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10353457 0.82 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10368593 0.81 PDE3B (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16157003 0.81 PDE3B (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10554379 0.81 PDE3B (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16157010 0.80 PDE3B (0.61) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10367457 0.80 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16156987 0.79 PDE3B (0.79) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10518942 0.79 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16157004 0.78 PDE3B (0.65) 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
EP-0175363-B1 4,5-DIHYDRO-3(2H)-PYRIDAZINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1990-01-17 — — EP disclosed
US-4816454-A CARDIOVASCULAR DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1989-03-28 — — US disclosed
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