SCHEMBL7280911

SCHEMBL7280911

COC(=O)C1=C(C)NC(C)=C(C(=O)OCCOCCCl)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.75
KMT2A Q03164 5/20 0.75
CYP1A2 P05177 4/20 0.75
CYP3A4 P08684 4/20 0.75
CYP2C9 P11712 4/20 0.75
CYP2C19 P33261 4/20 0.75
MAPT P10636 4/20 0.75
HIF1A Q16665 3/20 0.75
LMNA P02545 3/20 0.75
CYP2D6 P10635 2/20 0.75
TSHR P16473 2/20 0.75
NFKB1 P19838 2/20 0.75
THPO P40225 2/20 0.75
POLB P06746 1/20 0.75
MAPK1 P28482 1/20 0.75
GPR55 Q9Y2T6 1/20 0.75
CACNA1F O60840 4/20 0.73
CACNA1D Q01668 4/20 0.73
CACNA1S Q13698 4/20 0.73
CACNA1C Q13936 4/20 0.73

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
SCHEMBL3435101 0.94 HIF1A (0.81) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL11839673 0.91 MEN1 (0.80) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7273298 0.91 MEN1 (0.76) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7282379 0.91 CACNA1F (0.76) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL3436017 0.90 HIF1A (0.78) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7430479 0.90 MEN1 (0.80) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9476417 0.90 MEN1 (0.84) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7275184 0.90 CACNA1F (0.82) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL10576375 0.89 CACNA1F (0.79) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7290444 0.89 CACNA1F (0.79) MEN1KMT2ACYP1A2CYP3A4CYP2C9

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-5591757-A ADRENERGIC BETA-RECEPTOR BLOCKING AGENTS AND CALCIUM ANTAGONIST YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-01-07 US disclosed
US-5110820-A Hypotensive agents; cardiovascular disorders YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-05-05 US disclosed
EP-0151006-B1 DIHYDROPYRIDINE COMPOUNDS, THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PRODUCING THESE COMPOSITIONS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-08-28 EP disclosed
EP-0151006-A2 Dihydropyridine compounds, their production, pharmaceutical compositions containing them, and methods of producing these compositions YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1985-08-07 EP disclosed