SCHEMBL7280492

SCHEMBL7280492

CCOC(=O)C1=C(C)Nc2c(c(C(C)C)nn2C)C1c1ccccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 3/20 0.53
CACNA1F O60840 2/20 0.53
CACNA1D Q01668 2/20 0.53
CACNA1S Q13698 2/20 0.53
ACHE P22303 1/20 0.53

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
SCHEMBL7280324 0.88 ALDH1A1 (0.48) CACNA1CCACNA1FCACNA1DCACNA1SACHE
SCHEMBL7271096 0.88 CA1 (0.46) CACNA1CCACNA1FCACNA1DCACNA1SACHE
SCHEMBL7280765 0.83 CACNA1D (0.54) CACNA1CCACNA1FCACNA1DCACNA1SACHE
SCHEMBL7273223 0.83 CACNA1F (0.55) CACNA1CCACNA1FCACNA1DCACNA1SACHE
SCHEMBL7272356 0.80 ALDH1A1 (0.42) ACHE
SCHEMBL7272872 0.80 MTOR (0.58) CACNA1CCACNA1FCACNA1DCACNA1SACHE
SCHEMBL7279048 0.79 CYP1A2 (0.57) CACNA1CCACNA1FCACNA1DCACNA1SACHE
SCHEMBL7431826 0.79 CACNA1C (0.71) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL9765757 0.76 CACNA1C (0.69) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL7282275 0.76 CA1 (0.49) CACNA1CCACNA1FCACNA1DCACNA1SACHE

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