SCHEMBL9511512

SCHEMBL9511512

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 10/20 0.61
CACNA1D Q01668 10/20 0.61
CACNA1S Q13698 10/20 0.61
CACNA1C Q13936 10/20 0.61
ACHE P22303 1/20 0.53
ADORA3 P0DMS8 2/20 0.52
TSHR P16473 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 3/20 0.48
MEN1 O00255 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 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
SCHEMBL9513433 0.96 CACNA1F (0.68) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL9505389 0.96 CACNA1F (0.68) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL11819347 0.90 CACNA1F (0.72) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL9677428 0.89 CACNA1F (0.61) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL11774845 0.88 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL10861491 0.86 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL9503033 0.86 CACNA1F (0.80) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL7275780 0.86 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL9513394 0.84 ABCC1 (0.58) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9675896 0.84 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0212340-B1 2-(heteroalkyl)-1,4-dihydropyridines, process for their preparations and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA (IT) 1993-10-27 EP claimed
EP-0212340-B1 2-(heteroalkyl)-1,4-dihydropyridines, process for their preparations and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA (IT) 1993-10-27 EP disclosed
US-4839348-A HYPOTENSIVE AGENTS; ANTICOAGULANTS, ANTIISCHEMIC AGENTS BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-06-13 US disclosed