SCHEMBL11383232

SCHEMBL11383232

CCOC(=O)C1=C(C)NN=C(C(=O)OCCOC)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 12/20 0.70
CACNA1F O60840 11/20 0.70
CACNA1D Q01668 11/20 0.70
CACNA1S Q13698 11/20 0.70
ADORA3 P0DMS8 2/20 0.65
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
CYP1A2 P05177 4/20 0.64
CYP3A4 P08684 4/20 0.64
CYP2C9 P11712 4/20 0.64
CYP2C19 P33261 4/20 0.64
LMNA P02545 3/20 0.64
MAPT P10636 3/20 0.64
CYP2D6 P10635 2/20 0.64
TSHR P16473 2/20 0.64
NFKB1 P19838 2/20 0.64
THPO P40225 2/20 0.64
HIF1A Q16665 3/20 0.63
POLB P06746 1/20 0.63
MAPK1 P28482 1/20 0.63

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
SCHEMBL11387903 0.94 CACNA1C (0.72) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11379195 0.91 HIF1A (0.73) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11388272 0.91 HIF1A (0.73) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11398800 0.90 MEN1 (0.77) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11385310 0.90 MEN1 (0.77) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11268103 0.89 CACNA1C (0.67) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11383328 0.88 CACNA1C (0.70) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11826754 0.86 CACNA1C (0.94) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11271620 0.85 CACNA1C (0.74) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11390079 0.85 CACNA1C (0.70) 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-4280998-A 1,4-Dihydropyridazine-3-carboxylic acid derivatives, a process for their preparation and their use as antihypertensives BAYER AKTIENGESELLSCHAFT (DE) 1981-07-28 US disclosed