SCHEMBL7278768

SCHEMBL7278768

CCOC(=O)C1=C(C)Nc2[nH]nc(-c3ccccc3)c2C1c1cc(C)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1D Q01668 5/20 0.53
CACNA1C Q13936 5/20 0.53
CACNA1F O60840 4/20 0.53
CACNA1S Q13698 4/20 0.53
HPGDS O60760 1/20 0.46
ADORA3 P0DMS8 2/20 0.45
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ABCB1 P08183 2/20 0.44
CASP1 P29466 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACHE P22303 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
SCHEMBL7282344 0.81 ACHE (0.55) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL7272599 0.81 CACNA1D (0.49) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL3005453 0.81 MAPT (0.52) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL7282212 0.80 CACNA1B (0.55) CACNA1DCACNA1CCACNA1FCACNA1SHPGDS
SCHEMBL7272462 0.80 CACNA1F (0.52) CACNA1DCACNA1CCACNA1FCACNA1SHPGDS
SCHEMBL10577429 0.77 CACNA1C (0.69) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL7279849 0.77 CACNA1F (0.39) CACNA1DCACNA1CCACNA1FCACNA1SHPGDS
SCHEMBL7282703 0.77 CACNA1F (0.46) CACNA1DCACNA1CCACNA1FCACNA1SALDH1A1
SCHEMBL7272717 0.77 CACNA1F (0.44) CACNA1DCACNA1CCACNA1FCACNA1SALDH1A1
SCHEMBL7280619 0.76 CYP2C9 (0.54) 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 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