SCHEMBL10765643

SCHEMBL10765643

COC(=O)C1=C(CF)NC(C)=C(C(=O)OC(C)C)C1c1c(F)cccc1C(F)(F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 7/20 0.43
CACNA1F O60840 5/20 0.43
CACNA1D Q01668 5/20 0.43
CACNA1S Q13698 5/20 0.43
TBXA2R P21731 4/20 0.43
ADORA3 P0DMS8 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
SCN5A Q14524 3/20 0.43
SLC6A3 Q01959 3/20 0.43
KCNH2 Q12809 3/20 0.43
NR1I2 O75469 2/20 0.43
NR3C1 P04150 2/20 0.43
CCKBR P32239 2/20 0.43
PDE4D Q08499 2/20 0.43
ABCB11 O95342 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43

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
SCHEMBL7428629 0.93 CACNA1C (0.48) CACNA1CCACNA1FCACNA1DCACNA1STBXA2R
SCHEMBL10768767 0.90 CACNA1C (0.48) CACNA1CCACNA1FCACNA1DCACNA1STBXA2R
SCHEMBL7271324 0.85 CACNA1C (0.45) CACNA1CCACNA1FCACNA1DCACNA1STBXA2R
SCHEMBL7266441 0.83 CACNA1C (0.42) CACNA1CCACNA1FCACNA1DCACNA1STBXA2R
SCHEMBL7266593 0.83 CACNA1C (0.43) CACNA1CCACNA1FCACNA1DCACNA1STBXA2R
SCHEMBL7272182 0.82 CACNA1C (0.41) CACNA1CCACNA1FCACNA1DCACNA1STBXA2R
SCHEMBL10769180 0.82 CACNA1C (0.43) CACNA1CCACNA1FCACNA1DCACNA1STBXA2R
SCHEMBL10769929 0.81 RAB9A (0.51) CACNA1CCACNA1FCACNA1DCACNA1STBXA2R
SCHEMBL7266612 0.81 CACNA1C (0.40) CACNA1CCACNA1FCACNA1DCACNA1STBXA2R
SCHEMBL7430546 0.81 CACNA1C (0.53) CACNA1CCACNA1FCACNA1DCACNA1STBXA2R

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-0225175-A2 Dihydropyridine derivatives, processes for their preparation and pharmaceutical compositions thereof FISONS plc (GB) 1987-06-10 EP claimed
EP-0225175-A2 Dihydropyridine derivatives, processes for their preparation and pharmaceutical compositions thereof FISONS plc (GB) 1987-06-10 EP disclosed