SCHEMBL11159409

SCHEMBL11159409

CC1CC(=O)NN=C1c1ccc(NC(=O)Oc2ccc(F)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 10/20 0.67
▸ PDE3A Q14432 10/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ MAPT P10636 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TNNC1 P63316 1/20 0.51
▸ FAAH O00519 1/20 0.46
▸ HRH3 Q9Y5N1 4/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46

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
SCHEMBL11164631 0.89 PDE3B (0.67) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL11176102 0.89 PDE3B (0.72) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL11159048 0.87 PDE3B (0.63) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL11120072 0.86 PDE3B (0.62) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL11165665 0.85 PDE3B (0.81) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL11160996 0.84 PDE3B (0.78) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL10731125 0.84 PDE3B (0.69) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL11160053 0.82 PDE3B (0.63) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL11172357 0.82 PDE3B (0.66) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL11169119 0.82 PDE3B (0.63) PDE3BPDE3ASMN1; SMN2MAPTKDM4E

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-4415571-A HYPOTENSIVE AGENTS; THROMBOSIS; ANTICOAGULANTS; CARDIOVASCULAR DISORDDERS BASF AKTIENGESELLSCHAFT (DE) 1983-11-15 — — US disclosed
EP-0042513-A1 Dihydropyridazinones, processes for their preparation and pharmaceutical compositions containing these compounds BASF Aktiengesellschaft (DE) 1981-12-30 — — EP disclosed
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