SCHEMBL9824964

SCHEMBL9824964

CCOC(=O)C1=C(C)NC(CC)=C(C(=O)OCC)C1c1cc([N+](=O)[O-])ccc1OCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 11/20 0.49
CACNA1F O60840 10/20 0.48
CACNA1D Q01668 10/20 0.48
CACNA1S Q13698 10/20 0.48
ALDH1A1 P00352 2/20 0.46
ALOX12 P18054 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
HIF1A Q16665 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL9689854 0.87 HSD17B10 (0.50) CACNA1CCACNA1FCACNA1DCACNA1SALDH1A1
SCHEMBL9825233 0.85 CACNA1C (0.56) CACNA1CCACNA1FCACNA1DCACNA1SALDH1A1
SCHEMBL9825229 0.85 CACNA1C (0.56) CACNA1CCACNA1FCACNA1DCACNA1SALDH1A1
SCHEMBL10691974 0.82 HSD17B10 (0.54) CACNA1CCACNA1FCACNA1DCACNA1SALDH1A1
SCHEMBL10693040 0.79 CACNA1C (0.64) CACNA1CCACNA1FCACNA1DCACNA1SALDH1A1
SCHEMBL9617651 0.79 CACNA1C (0.55) CACNA1CCACNA1FCACNA1DCACNA1SALDH1A1
SCHEMBL10692066 0.78 CACNA1C (0.44) CACNA1CCACNA1FCACNA1DCACNA1SALDH1A1
SCHEMBL10913444 0.77 CACNA1F (0.76) CACNA1CCACNA1FCACNA1DCACNA1SSMN1; SMN2
SCHEMBL7340395 0.77 CACNA1F (0.64) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL10488477 0.76 ADORA3 (0.61) CACNA1CCACNA1FCACNA1DCACNA1SADORA3

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
EP-0167371-B1 DIHYDROPYRIDINE COMPOUNDS, THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-03-06 EP disclosed
US-4727082-A CARDIOVASCULAR DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1988-02-23 US disclosed
EP-0167371-A2 Dihydropyridine compounds, their production, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1986-01-08 EP disclosed