SCHEMBL9744652

SCHEMBL9744652

CCOC(=O)C1=C(C)NC(C=Cc2cc(-n3ccnc3)c(O)c(OC)c2C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 12/20 0.53
CACNA1D Q01668 12/20 0.53
CACNA1S Q13698 12/20 0.53
CACNA1C Q13936 12/20 0.53
ADORA3 P0DMS8 1/20 0.53
MEN1 O00255 4/20 0.52
CYP1A2 P05177 4/20 0.52
CYP3A4 P08684 4/20 0.52
CYP2C9 P11712 4/20 0.52
CYP2C19 P33261 4/20 0.52
KMT2A Q03164 4/20 0.52
HIF1A Q16665 3/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 3/20 0.52
CYP2D6 P10635 2/20 0.52
TSHR P16473 2/20 0.52
NFKB1 P19838 2/20 0.52
THPO P40225 2/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL9745206 0.83 CACNA1C (0.61) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9745201 0.83 CACNA1C (0.61) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9744636 0.78 CACNA1C (0.52) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9744641 0.78 CACNA1C (0.52) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9744562 0.75 CACNA1C (0.73) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9744567 0.75 CACNA1C (0.73) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9744732 0.75 CACNA1C (0.76) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9744750 0.75 CACNA1C (0.76) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9744679 0.75 CACNA1C (0.67) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9744685 0.75 CACNA1C (0.67) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215250-B1 2-SUBSTITUTED-1,4-DIHYDROPYRIDINES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-12-30 EP claimed
US-4845113-A USEFUL IN RADICAL SCAVENGING THERAPY BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-07-04 US claimed
EP-0215250-A1 2-Substituted-1,4-dihydropyridines, method for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1987-03-25 EP claimed
EP-0215250-B1 2-SUBSTITUTED-1,4-DIHYDROPYRIDINES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-12-30 EP disclosed
EP-0215250-A1 2-Substituted-1,4-dihydropyridines, method for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1987-03-25 EP disclosed