SCHEMBL7349764

SCHEMBL7349764

O=C(OCCN1C(=O)c2ccccc2C1=O)C1=C(C(F)(F)F)NC(C(F)(F)F)=C(C(=O)OCCN2C(=O)c3ccccc3C2=O)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 8/20 0.52
CACNA1D Q01668 8/20 0.52
CACNA1S Q13698 8/20 0.52
CACNA1C Q13936 8/20 0.52
ADORA3 P0DMS8 1/20 0.49
PDE1C Q14123 1/20 0.48
MEN1 O00255 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
HIF1A Q16665 2/20 0.46
POLB P06746 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
SCHEMBL7346789 0.96 CACNA1F (0.59) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7349755 0.92 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7344588 0.91 MAPT (0.59) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7349105 0.88 CACNA1F (0.52) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7350657 0.87 CACNA1F (0.65) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7343596 0.86 MAPT (0.60) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7341750 0.86 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7343360 0.86 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7341661 0.85 CACNA1F (0.59) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7344101 0.84 CACNA1F (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4833150-A HYPOTENSIVES, ANTIARRHYTHMIA AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1989-05-23 US disclosed
US-4652573-A HYPOTENSIVE AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1987-03-24 US disclosed
EP-0194685-A1 1,4-Dihydropyridines Whitby Research Incorporated (US) 1986-09-17 EP disclosed