SCHEMBL28430822

SCHEMBL28430822

C[C@H]1CC(=O)NN=C1c1ccc(NN)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 16/20 0.69
▸ PDE3A Q14432 16/20 0.69
▸ TNNC1 P63316 1/20 0.62
▸ KDM4E B2RXH2 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ PDE4A P27815 3/20 0.57
▸ PDE4B Q07343 3/20 0.57
▸ PDE4C Q08493 3/20 0.57
▸ PDE4D Q08499 3/20 0.57
▸ MAPT P10636 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ GALR3 O60755 1/20 0.53

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
SCHEMBL5679082 1.00 PDE3B (0.69) PDE3BPDE3ATNNC1KDM4EALDH1A1
SCHEMBL5677157 1.00 PDE3B (0.69) PDE3BPDE3ATNNC1KDM4EALDH1A1
SCHEMBL10353457 0.87 PDE3B (0.71) PDE3BPDE3ATNNC1PDE4APDE4B
SCHEMBL6370079 0.85 PDE3B (0.69) PDE3BPDE3ATNNC1KDM4EALDH1A1
SCHEMBL9225238 0.85 PDE3B (0.69) PDE3BPDE3ATNNC1KDM4EALDH1A1
SCHEMBL5681167 0.83 PDE3B (0.56) PDE3BPDE3ATNNC1PDE4APDE4B
SCHEMBL6856944 0.83 PDE3B (0.62) PDE3BPDE3ATNNC1PDE4APDE4B
SCHEMBL5681256 0.83 PDE3B (0.62) PDE3BPDE3ATNNC1PDE4APDE4B
SCHEMBL934905 0.83 PDE3B (0.62) PDE3BPDE3ATNNC1PDE4APDE4B
SCHEMBL16157013 0.83 PDE3B (0.66) PDE3BPDE3ATNNC1KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111474289-A Method for separating and analyzing levosimendan and levosimendan by using reverse phase chromatography 武汉嘉诺康医药技术有限公司 2020-07-31 — — CN disclosed
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