SCHEMBL7377828

SCHEMBL7377828

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
CYP1A2 P05177 4/20 0.65
CYP3A4 P08684 4/20 0.65
CYP2C9 P11712 4/20 0.65
CYP2C19 P33261 4/20 0.65
HIF1A Q16665 3/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
LMNA P02545 3/20 0.65
CYP2D6 P10635 3/20 0.65
TSHR P16473 2/20 0.65
POLB P06746 1/20 0.65
MAPK1 P28482 1/20 0.65
GPR55 Q9Y2T6 1/20 0.65
NFKB1 P19838 1/20 0.65
THPO P40225 1/20 0.65
NR3C2 P08235 1/20 0.64
CACNA1B Q00975 1/20 0.59
TDP1 Q9NUW8 2/20 0.59
ADORA3 P0DMS8 3/20 0.58

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
SCHEMBL7377832 1.00 MAPT (0.65) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7385981 0.95 HIF1A (0.72) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7381489 0.92 CACNA1B (0.60) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10754455 0.92 CACNA1B (0.60) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7275981 0.90 CACNA1F (0.74) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7275996 0.90 CACNA1F (0.74) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4654952 0.89 MAPT (0.80) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4654954 0.89 MAPT (0.80) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6455316 0.89 MAPT (0.80) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7384519 0.89 MAPT (0.80) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0127150-A2 2,6-Disubstituted-1,4-dihydropyridine derivative, process for the preparation of the same and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-05 EP claimed
US-4579859-A HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-01 US disclosed
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
EP-0127150-A2 2,6-Disubstituted-1,4-dihydropyridine derivative, process for the preparation of the same and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-05 EP 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-4284634-A HYPOTENSIVE VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed