SCHEMBL9712629

SCHEMBL9712629

COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCc2ccccc2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.77
MEN1 O00255 4/20 0.77
KMT2A Q03164 4/20 0.77
TDP1 Q9NUW8 3/20 0.77
CACNA1C Q13936 7/20 0.75
CYP1A2 P05177 5/20 0.75
CYP3A4 P08684 5/20 0.75
CYP2C9 P11712 5/20 0.75
CYP2C19 P33261 5/20 0.75
LMNA P02545 4/20 0.75
CYP2D6 P10635 4/20 0.75
TSHR P16473 3/20 0.75
NPC1 O15118 1/20 0.75
ABCC4 O15439 1/20 0.75
ABCB11 O95342 1/20 0.75
PGR P06401 1/20 0.75
CHRM2 P08172 1/20 0.75
ABCB1 P08183 1/20 0.75
HTR1A P08908 1/20 0.75
ADRA2A P08913 1/20 0.75

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
SCHEMBL11739916 0.94 MAPT (0.80) MAPTMEN1KMT2ATDP1CACNA1C
SCHEMBL10759264 0.93 MEN1 (0.71) MAPTMEN1KMT2ATDP1CACNA1C
SCHEMBL7272403 0.91 MAPT (0.68) MAPTMEN1KMT2ATDP1CACNA1C
SCHEMBL3681361 0.90 MAPT (0.85) MAPTMEN1KMT2ATDP1CACNA1C
SCHEMBL10759897 0.90 MAPT (0.65) MAPTMEN1KMT2ATDP1CACNA1C
Monoethanolamine SCHEMBL10892805 0.89 MAPT (0.73) MAPTMEN1KMT2ATDP1CACNA1C
Hydrochloric Acid SCHEMBL1495251 0.89 MAPT (0.84) MAPTMEN1KMT2ATDP1CACNA1C
SCHEMBL9476417 0.89 MEN1 (0.84) MAPTMEN1KMT2ATDP1CACNA1C
SCHEMBL9765708 0.89 MAPT (0.74) MAPTMEN1KMT2ATDP1CACNA1C
SCHEMBL10882908 0.89 HIF1A (0.76) MAPTMEN1KMT2ATDP1CACNA1C

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-5137889-A Hypotensive agents; coronary vasodilators; calcium antagonists; antiinflammatory agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-08-11 US disclosed
US-5034395-A Hypotensive agents, carboxylated dihydropyridines OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
US-4795814-A CORONARY VASODILATORS, HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTTS, ENZYME INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-01-03 US disclosed