SCHEMBL7272944

SCHEMBL7272944

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 2/20 0.54
CACNA1D Q01668 2/20 0.54
CACNA1S Q13698 2/20 0.54
CACNA1C Q13936 2/20 0.54
GUSB P08236 1/20 0.49
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.47
GAA P10253 3/20 0.46
KMT2A Q03164 4/20 0.45
POLB P06746 1/20 0.45
ACHE P22303 1/20 0.45
ALDH1A1 P00352 1/20 0.43
APOBEC3A P31941 4/20 0.43
APOBEC3G Q9HC16 4/20 0.43
PDE1C Q14123 1/20 0.41
PABPC1 P11940 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL7280395 0.93 CACNA1F (0.56) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7272617 0.87 CACNA1F (0.57) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7280478 0.85 CACNA1F (0.55) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7271774 0.83 CYP1A2 (0.61) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL7279866 0.81 ACHE (0.51) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL7273223 0.80 CACNA1F (0.55) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7272896 0.79 HIF1A (0.59) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL10573652 0.78 HIF1A (0.58) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL7278457 0.78 ADORA3 (0.41) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL9022136 0.77 CACNA1F (0.79) CACNA1FCACNA1DCACNA1SCACNA1CGUSB

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