SCHEMBL7279866

SCHEMBL7279866

CCCc1nn(C)c2c1C(c1cccc(F)c1)C(C(=O)OCC)=C(C)N2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.51
CACNA1B Q00975 1/20 0.45
CACNA1F O60840 5/20 0.44
CACNA1D Q01668 5/20 0.44
CACNA1S Q13698 5/20 0.44
CACNA1C Q13936 5/20 0.44
ADORA3 P0DMS8 2/20 0.44
BCHE P06276 1/20 0.42
HIF1A Q16665 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
GPR55 Q9Y2T6 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
SCHEMBL7273162 0.93 ACHE (0.52) ACHECACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL7273090 0.89 ACHE (0.54) ACHECACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL7280076 0.85 ACHE (0.51) ACHECACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL7280535 0.84 CACNA1F (0.46) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7272944 0.81 CACNA1F (0.54) ACHECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7271774 0.79 CYP1A2 (0.61) ACHECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3016370 0.78 CACNA1F (0.66) ACHECACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL7271592 0.76 ABCC1 (0.47) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7273692 0.76 ACHE (0.56) ACHECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7281990 0.76 ADORA3 (0.58) 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 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