SCHEMBL7433675

SCHEMBL7433675

CCOC(=O)C1=C(C)NC(CF)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 11/20 0.83
CACNA1D Q01668 11/20 0.83
CACNA1S Q13698 11/20 0.83
CACNA1C Q13936 11/20 0.83
ADORA3 P0DMS8 1/20 0.83
CYP1A2 P05177 4/20 0.77
CYP3A4 P08684 4/20 0.77
CYP2C9 P11712 4/20 0.77
CYP2C19 P33261 4/20 0.77
HIF1A Q16665 3/20 0.77
MEN1 O00255 3/20 0.77
KMT2A Q03164 3/20 0.77
MAPT P10636 2/20 0.77
LMNA P02545 2/20 0.77
CYP2D6 P10635 2/20 0.77
TSHR P16473 2/20 0.77
NFKB1 P19838 2/20 0.77
THPO P40225 2/20 0.77
POLB P06746 1/20 0.77
MAPK1 P28482 1/20 0.77

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
SCHEMBL9193485 0.96 HIF1A (0.85) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9504273 0.95 CACNA1F (0.78) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7436326 0.95 CACNA1F (0.77) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10694127 0.93 CACNA1F (0.85) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7379644 0.92 CACNA1F (0.83) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL2574894 0.91 CACNA1F (1.00) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL6590571 0.91 CACNA1F (0.82) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11691575 0.91 CACNA1F (0.82) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7439235 0.91 CACNA1F (0.71) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7286872 0.91 CACNA1F (0.82) CACNA1FCACNA1DCACNA1SCACNA1CADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4686217-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS FISONS PLC (GB) 1987-08-11 US claimed
EP-0125803-A2 Pharmaceutically active dihydropyridines FISONS plc (GB) 1984-11-21 EP claimed
US-4686217-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS FISONS PLC (GB) 1987-08-11 US disclosed
EP-0125803-A2 Pharmaceutically active dihydropyridines FISONS plc (GB) 1984-11-21 EP disclosed