SCHEMBL7273090

SCHEMBL7273090

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.54
CACNA1B Q00975 1/20 0.48
CACNA1F O60840 4/20 0.47
CACNA1D Q01668 4/20 0.47
CACNA1S Q13698 4/20 0.47
CACNA1C Q13936 4/20 0.47
ADORA3 P0DMS8 2/20 0.47
BCHE P06276 1/20 0.44
HIF1A Q16665 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL7273162 0.90 ACHE (0.52) ACHECACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL7280076 0.89 ACHE (0.51) ACHECACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL7279866 0.89 ACHE (0.51) ACHECACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL7281990 0.87 ADORA3 (0.58) ACHECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7273692 0.87 ACHE (0.56) ACHECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7278678 0.85 CACNA1F (0.70) ACHECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3016370 0.81 CACNA1F (0.66) ACHECACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL7282275 0.79 CA1 (0.49) ACHECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL4261000 0.78 MAPT (0.56) ACHECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7278639 0.78 TSHR (0.52) ACHECACNA1FCACNA1DCACNA1SCACNA1C

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