SCHEMBL7272932

SCHEMBL7272932

CCOC(=O)C1=C(C)Nc2c(c(-c3ccccc3)nn2C)C1c1ccccc1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 4/20 0.53
CACNA1D Q01668 4/20 0.53
CACNA1F O60840 3/20 0.53
CACNA1S Q13698 3/20 0.53
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ADORA3 P0DMS8 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PARP1 P09874 1/20 0.43
ACHE P22303 2/20 0.42
ABCB1 P08183 2/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7272599 0.91 CACNA1D (0.49) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL7282275 0.88 CA1 (0.49) CACNA1CCACNA1DCACNA1FCACNA1SCA1
SCHEMBL7272365 0.87 ACHE (0.53) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL7271096 0.84 CA1 (0.46) CACNA1CCACNA1DCACNA1FCACNA1SCA1
SCHEMBL7280226 0.81 ACHE (0.52) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL7282043 0.79 CACNA1F (0.64) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL7281470 0.79 CACNA1C (0.50) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL7278639 0.78 TSHR (0.52) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL10377480 0.77 ADORA3 (0.46) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL7278723 0.77 ADORA3 (0.62) CACNA1CCACNA1DCACNA1FCACNA1SADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0114273-A1 New pharmacologically active pyrazolopyridines GRUPPO LEPETIT S.p.A. (IT) 1984-08-01 EP disclosed