SCHEMBL7300796

SCHEMBL7300796

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.81
ABCB1 P08183 2/20 0.81
TBXA2R P21731 2/20 0.81
SCN5A Q14524 2/20 0.81
NR1I2 O75469 1/20 0.81
NR3C1 P04150 1/20 0.81
AGTR1 P30556 1/20 0.81
CCKBR P32239 1/20 0.81
PTGS2 P35354 1/20 0.81
PDE4D Q08499 1/20 0.81
SLC29A1 Q99808 1/20 0.81
MAPT P10636 4/20 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
HIF1A Q16665 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
LMNA P02545 3/20 0.64

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
SCHEMBL7300791 1.00 ADORA3 (0.81) ADORA3ABCB1TBXA2RSCN5ANR1I2
SCHEMBL7380227 0.95 ADORA3 (0.89) ADORA3ABCB1TBXA2RSCN5ANR1I2
SCHEMBL7305002 0.92 ADORA3 (0.67) ADORA3ABCB1TBXA2RSCN5ANR1I2
SCHEMBL7305006 0.92 ADORA3 (0.67) ADORA3ABCB1TBXA2RSCN5ANR1I2
SCHEMBL7380464 0.90 CACNA1F (0.72) ADORA3ABCB1TBXA2RSCN5ANR1I2
Nilvadipine SCHEMBL33729 0.89 ADORA3 (1.00) ADORA3ABCB1TBXA2RSCN5ANR1I2
Nilvadipine SCHEMBL8004036 0.89 ADORA3 (1.00) ADORA3ABCB1TBXA2RSCN5ANR1I2
Nilvadipine SCHEMBL30875962 0.89 ADORA3 (1.00) ADORA3ABCB1TBXA2RSCN5ANR1I2
Nilvadipine SCHEMBL33730 0.89 ADORA3 (1.00) ADORA3ABCB1TBXA2RSCN5ANR1I2
Hydrochloric Acid SCHEMBL11180647 0.89 CACNA1F (0.71) ADORA3ABCB1TBXA2RSCN5ANR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0447812-B1 Use of a dihydropyridine to improve the inner ear blood circulation FUJISAWA PHARMACEUTICAL CO (JP) 1996-01-10 EP claimed
EP-0323604-B1 A venous extensibility improving and cardiac hypertrophy suppressant agent containing a dihydropyridine compound FUJISAWA PHARMACEUTICAL CO (JP) 1994-05-11 EP claimed
EP-0322747-B1 A brain neuron protecting agent containing a dihydropyridine compound FUJISAWA PHARMACEUTICAL CO (JP) 1994-03-02 EP claimed
EP-0137198-B1 FAST RELEASE SOLID PREPARATION OF DIHYDROPYRIDINE A COMPOUND AND PROCESS FOR PREPARING IT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-03-13 EP claimed
EP-0552379-A1 DIHYDROPYRIDINE DERIVATIVES, AND PROCESS FOR THEIR PREPARATION. FUJISAWA PHARMACEUTICAL CO (JP) 1993-07-28 EP disclosed