SCHEMBL7347753

SCHEMBL7347753

COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)N2Cc3ccccc3C2)C1c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
GAA P10253 4/20 0.52
HPGD P15428 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 3/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
GLA P06280 1/20 0.51
CACNA1F O60840 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47
TSHR P16473 1/20 0.46
CACNA1B Q00975 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.44

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
SCHEMBL7158364 0.84 KDM4E (0.64) KDM4EGAAHPGDALDH1A1HSD17B10
SCHEMBL7341772 0.83 CACNA1F (0.62) KDM4EGAAHPGDALDH1A1HSD17B10
SCHEMBL7344600 0.82 KDM4E (0.68) KDM4EGAAHPGDALDH1A1HSD17B10
SCHEMBL7162763 0.82 GAA (0.65) KDM4EGAAHPGDALDH1A1HSD17B10
SCHEMBL7347758 0.80 GAA (0.52) KDM4EGAAHPGDALDH1A1HSD17B10
SCHEMBL7340135 0.78 CACNA1C (0.41) KDM4EHPGDALDH1A1HSD17B10CACNA1F
SCHEMBL7346352 0.78 CYP1A2 (0.55) KDM4EHPGDALDH1A1HSD17B10CACNA1F
SCHEMBL7162770 0.78 CACNA1B (0.66) KDM4EGAAHPGDALDH1A1HSD17B10
SCHEMBL7347551 0.78 KDM4E (0.53) KDM4EHPGDALDH1A1HSD17B10CACNA1F
SCHEMBL7347764 0.77 ADORA3 (0.64) KDM4EGAAHPGDALDH1A1HSD17B10

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-4833150-A HYPOTENSIVES, ANTIARRHYTHMIA AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1989-05-23 US disclosed
US-4652573-A HYPOTENSIVE AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1987-03-24 US disclosed
EP-0194685-A1 1,4-Dihydropyridines Whitby Research Incorporated (US) 1986-09-17 EP disclosed