SCHEMBL11259313

SCHEMBL11259313

CCC1=NNC(C)=C(C(=O)OCCOc2ccccc2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 11/20 0.61
CACNA1F O60840 10/20 0.61
CACNA1D Q01668 10/20 0.61
CACNA1S Q13698 10/20 0.61
ADORA3 P0DMS8 2/20 0.56
PDE1C Q14123 1/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
CYP1A2 P05177 4/20 0.54
CYP3A4 P08684 4/20 0.54
CYP2C9 P11712 4/20 0.54
CYP2C19 P33261 4/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 3/20 0.54
CYP2D6 P10635 2/20 0.54
TSHR P16473 2/20 0.54
NFKB1 P19838 2/20 0.54
THPO P40225 2/20 0.54
MLNR O43193 1/20 0.53
NR1I2 O75469 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
SCHEMBL11268103 0.90 CACNA1C (0.67) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11258636 0.88 CACNA1C (0.72) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11271363 0.87 CACNA1F (0.63) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11270235 0.86 CACNA1F (0.62) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11258513 0.86 CACNA1F (0.75) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11260770 0.86 PDE1C (0.74) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11268873 0.86 CACNA1F (0.63) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL10748200 0.85 CACNA1C (0.85) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL9765794 0.83 CYP1A2 (0.75) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11257924 0.83 CACNA1F (0.59) CACNA1CCACNA1FCACNA1DCACNA1SADORA3

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
US-4360520-A 1,4-Dihydropyridazine compounds, and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1982-11-23 US disclosed