SCHEMBL7273692

SCHEMBL7273692

CCOC(=O)C1=C(C)Nc2c(c(C)nn2C)C1c1cccc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.56
CACNA1D Q01668 5/20 0.52
CACNA1F O60840 4/20 0.52
CACNA1S Q13698 4/20 0.52
CACNA1C Q13936 4/20 0.52
TP53 P04637 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GAA P10253 1/20 0.49
ADORA3 P0DMS8 2/20 0.46
MAPT P10636 3/20 0.46
HIF1A Q16665 3/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46

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
SCHEMBL7280226 0.88 ACHE (0.52) ACHECACNA1DCACNA1FCACNA1SCACNA1C
SCHEMBL7273090 0.87 ACHE (0.54) ACHECACNA1DCACNA1FCACNA1SCACNA1C
SCHEMBL7281990 0.87 ADORA3 (0.58) ACHECACNA1DCACNA1FCACNA1SCACNA1C
SCHEMBL7278678 0.84 CACNA1F (0.70) ACHECACNA1DCACNA1FCACNA1SCACNA1C
SCHEMBL7282275 0.79 CA1 (0.49) ACHECACNA1DCACNA1FCACNA1SCACNA1C
SCHEMBL11775245 0.78 CACNA1D (0.64) ACHECACNA1DCACNA1FCACNA1SCACNA1C
SCHEMBL11522796 0.78 CACNA1D (0.64) ACHECACNA1DCACNA1FCACNA1SCACNA1C
SCHEMBL7273162 0.78 ACHE (0.52) ACHECACNA1DCACNA1FCACNA1SCACNA1C
SCHEMBL10572886 0.78 CACNA1F (0.60) ACHECACNA1DCACNA1FCACNA1SCACNA1C
SCHEMBL4261000 0.77 MAPT (0.56) ACHECACNA1DCACNA1FCACNA1SCACNA1C

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-0114273-B1 NEW PHARMACOLOGICALLY ACTIVE PYRAZOLOPYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1991-11-06 EP disclosed
US-4954508-A HYPOTENSIVE GRUPPO LEPETIT S.P.A. (IT) 1990-09-04 US disclosed