SCHEMBL7280765

SCHEMBL7280765

CCOC(=O)C1=C(C)Nc2c(c(C(C)C)nn2C)C1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1D Q01668 8/20 0.54
CACNA1C Q13936 7/20 0.54
CACNA1F O60840 6/20 0.54
CACNA1S Q13698 6/20 0.54
ADORA3 P0DMS8 5/20 0.54
LMNA P02545 3/20 0.54
CYP1A2 P05177 3/20 0.54
ABCC4 O15439 2/20 0.54
ABCB11 O95342 2/20 0.54
ADORA2A P29274 2/20 0.54
ADORA1 P30542 2/20 0.54
OPRM1 P35372 2/20 0.54
SCN1A P35498 2/20 0.54
HTR2B P41595 2/20 0.54
KCNH2 Q12809 2/20 0.54
SCN5A Q14524 2/20 0.54
SCN2A Q99250 2/20 0.54
SCN3A Q9NY46 2/20 0.54
NR1I2 O75469 1/20 0.54
NR3C1 P04150 1/20 0.54

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
SCHEMBL7271466 0.92 CACNA1C (0.54) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL7282419 0.91 ADORA3 (0.62) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL7282331 0.89 ACHE (0.56) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL7272926 0.88 CACNA1C (0.47) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL7272934 0.88 CACNA1C (0.47) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL7271021 0.88 CACNA1D (0.54) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL7271737 0.87 ACHE (0.55) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL7271096 0.87 CA1 (0.46) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL7271051 0.86 ACHE (0.53) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL7272365 0.86 ACHE (0.53) CACNA1DCACNA1CCACNA1FCACNA1SADORA3

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 10 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 claimed
EP-0355234-A1 Pyrazolopyridine derivatives as antiatherosclerotic and antihypercholesterolemic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1990-02-28 EP claimed
EP-0114273-A1 New pharmacologically active pyrazolopyridines GRUPPO LEPETIT S.p.A. (IT) 1984-08-01 EP claimed
EP-0361382-B1 ANTIEPILEPTIC PYRAZOLOPYRIDINES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-06-16 EP disclosed
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
US-4916140-A CALCIUM CHANNEL BLOCKERS MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-10 US disclosed
EP-0361382-A2 Antiepileptic pyrazolopyridines MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-04 EP disclosed
EP-0355234-A1 Pyrazolopyridine derivatives as antiatherosclerotic and antihypercholesterolemic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1990-02-28 EP disclosed
EP-0114273-A1 New pharmacologically active pyrazolopyridines GRUPPO LEPETIT S.p.A. (IT) 1984-08-01 EP disclosed