SCHEMBL7384393

SCHEMBL7384393

CCOC(=O)C1=C(C=O)NC(C)=C(C(=O)O)C1c1ccccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.43
CYP2C9 P11712 5/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2C19 P33261 4/20 0.43
CYP1A2 P05177 3/20 0.43
ADORA3 P0DMS8 4/20 0.43
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
AMY1A P0DUB6 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
NR1I2 O75469 2/20 0.42
PGR P06401 2/20 0.42
OPRK1 P41145 2/20 0.42
PDE4D Q08499 2/20 0.42

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
SCHEMBL7372955 0.89 KDM4E (0.43) CACNA1CCYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL7381384 0.87 ADORA3 (0.46) CACNA1CCYP2C9CYP3A4CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL7380766 0.86 ADORA3 (0.46) CACNA1CCYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL7158453 0.84 ADORA3 (0.55) CACNA1CCYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL7383456 0.84 CACNA1C (0.46) CACNA1C
SCHEMBL7375200 0.84 ADORA3 (0.45) CACNA1CCYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL7385689 0.84 CYP2C9 (0.48) CACNA1CCYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL7372992 0.82 CACNA1C (0.42) CACNA1CCYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL7378152 0.81 CACNA1F (0.57) CACNA1CCYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL7374367 0.81 CACNA1F (0.43) CACNA1CCYP2C9CYP3A4CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4525478-A Certain 4-aryl-1,4-dihydro-3,5-pyridinedicarboxylates having vasodilating and anti-hypertensive properties FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-06-25 US disclosed
US-4393070-A HYPOTENSIVE, VASODILATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-07-12 US disclosed
US-4370334-A VASODILATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-01-25 US disclosed
US-4338322-A 1,4-Dihydropyridine derivatives, pharmaceutical compositions containing same and methods of effecting vasodilation using same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-07-06 US disclosed
US-4307103-A TREATMENT OF HYPERTENSION AND CARDIOVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-22 US disclosed
US-4284634-A HYPOTENSIVE VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed