SCHEMBL9510843

SCHEMBL9510843

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 11/20 0.52
CACNA1D Q01668 11/20 0.52
CACNA1S Q13698 11/20 0.52
CACNA1C Q13936 11/20 0.52
ADORA3 P0DMS8 1/20 0.52
MAPT P10636 4/20 0.51
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP2D6 P10635 2/20 0.51
TSHR P16473 2/20 0.51
NFKB1 P19838 2/20 0.51
LMNA P02545 2/20 0.51
GMNN O75496 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HIF1A Q16665 3/20 0.48
MEN1 O00255 2/20 0.48

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
SCHEMBL7286552 0.86 CYP1A2 (0.57) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7286542 0.86 CYP1A2 (0.57) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11687260 0.85 MAPT (0.70) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9033028 0.84 CYP1A2 (0.72) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9511223 0.82 CACNA1F (0.55) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11688651 0.82 CYP1A2 (0.59) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9123056 0.82 CYP1A2 (0.66) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11686463 0.82 CACNA1F (0.65) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11688665 0.82 CYP1A2 (0.63) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11688082 0.82 CYP1A2 (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564509-A1 PROCESS FOR PRODUCING DIHYDROPYRIDINE CARBOXYLIC ACIDS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-10-13 EP disclosed
WO-1992011239-A1 PROCESS FOR PRODUCING DIHYDROPYRIDINE CARBOXYLIC ACIDS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-07-09 WO disclosed