SCHEMBL9505389

SCHEMBL9505389

CCOC(=O)C1=C(C)NC(CCl)=C(C(=O)OC)C1c1cccc(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 4/20 0.68
CACNA1D Q01668 4/20 0.68
CACNA1S Q13698 4/20 0.68
CACNA1C Q13936 4/20 0.68
ADORA3 P0DMS8 3/20 0.56
HIF1A Q16665 5/20 0.55
CYP2C9 P11712 5/20 0.55
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
CYP1A2 P05177 4/20 0.55
CYP3A4 P08684 4/20 0.55
CYP2C19 P33261 4/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 3/20 0.55
CYP2D6 P10635 2/20 0.55
TSHR P16473 2/20 0.55
NFKB1 P19838 2/20 0.55
THPO P40225 2/20 0.55
POLB P06746 2/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL9513433 1.00 CACNA1F (0.68) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9511512 0.96 CACNA1F (0.61) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9503033 0.91 CACNA1F (0.80) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11819347 0.86 CACNA1F (0.72) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9677428 0.86 CACNA1F (0.61) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7416130 0.85 CACNA1C (0.61) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11774845 0.85 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7472991 0.85 CACNA1F (0.61) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9809455 0.84 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9022136 0.84 CACNA1F (0.79) 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-0458823-B1 A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1993-10-13 EP disclosed
US-5245039-A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA (IT) 1993-09-14 US disclosed