SCHEMBL9712344

SCHEMBL9712344

CCOCN1C(C)=CC(COC(=O)C(C)(C)C)(c2cccc([N+](=O)[O-])c2)C(COC(=O)C(C)(C)C)=C1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 7/20 0.35
CACNA1D Q01668 7/20 0.35
CACNA1S Q13698 7/20 0.35
CACNA1C Q13936 7/20 0.35
ADORA3 P0DMS8 1/20 0.35
MAPT P10636 5/20 0.34
LMNA P02545 3/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
NFKB1 P19838 2/20 0.34
GMNN O75496 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33

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
SCHEMBL9712346 0.81 CACNA1F (0.37) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9422554 0.79 CACNA1F (0.34) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9032854 0.68 CYP1A2 (0.58) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9031541 0.67 CYP1A2 (0.50) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9031530 0.67 CYP1A2 (0.50) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9033423 0.66 MAPT (0.42) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9032348 0.66 CYP1A2 (0.55) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9033738 0.66 CYP1A2 (0.64) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9032386 0.66 CYP1A2 (0.55) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9033734 0.66 CYP1A2 (0.64) CACNA1FCACNA1DCACNA1SCACNA1CADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474129-A2 1,4-Dihydropyridine derivatives and process for preparing the same Achiwa, Kazuo (JP) 1992-03-11 EP disclosed