SCHEMBL8301434

SCHEMBL8301434

CC1=C(C(=O)O)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CCCCO2)=C(C)N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 9/20 0.57
CACNA1F O60840 8/20 0.57
CACNA1D Q01668 8/20 0.57
CACNA1S Q13698 8/20 0.57
ADORA3 P0DMS8 2/20 0.57
CACNA1B Q00975 1/20 0.56
PDE1C Q14123 1/20 0.55
NR3C2 P08235 1/20 0.55
HIF1A Q16665 3/20 0.54
MEN1 O00255 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.54
GPR55 Q9Y2T6 1/20 0.54

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
SCHEMBL8302409 0.87 CACNA1F (0.50) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL9765742 0.87 ABCB1 (0.64) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL9404377 0.86 CACNA1F (0.59) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL10746880 0.86 ABCB1 (0.63) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7416441 0.82 POLB (0.64) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL3940339 0.81 CACNA1F (0.71) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL3032197 0.81 CACNA1F (0.71) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL4654954 0.80 MAPT (0.80) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL4654952 0.80 MAPT (0.80) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL6455316 0.80 MAPT (0.80) 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-0636611-B1 Optically active 1,4-dihydropyridine derivatives and process for preparing the same MERCIAN CORP (JP) 1999-07-28 EP disclosed
US-5395941-A Optically active 1,4-hydropyridine compounds MERCIAN CORPORATION (JP) 1995-03-07 US disclosed
EP-0636611-A2 Optically active 1,4-dihydropyridine derivatives and process for preparing the same MERCIAN CORPORATION (JP) 1995-02-01 EP disclosed