SCHEMBL7280535

SCHEMBL7280535

CCCc1nn(C)c2c1C(c1ccc(Cl)c(Cl)c1)C(C(=O)OCC)=C(C)N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 7/20 0.46
CACNA1D Q01668 7/20 0.46
CACNA1S Q13698 7/20 0.46
CACNA1C Q13936 7/20 0.46
ABCC1 P33527 1/20 0.46
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 3/20 0.40
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.39
TEAD2 Q15562 1/20 0.39
CYP2C9 P11712 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38

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
SCHEMBL7271592 0.92 ABCC1 (0.47) CACNA1FCACNA1DCACNA1SCACNA1CABCC1
SCHEMBL7279891 0.85 CACNA1F (0.46) CACNA1FCACNA1DCACNA1SCACNA1CABCC1
SCHEMBL7279866 0.84 ACHE (0.51) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL3038503 0.78 ABCC1 (0.72) CACNA1FCACNA1DCACNA1SCACNA1CABCC1
SCHEMBL7279034 0.77 LMNA (0.52) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL7273162 0.76 ACHE (0.52) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL7272944 0.75 CACNA1F (0.54) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL7278558 0.74 ALDH1A1 (0.46) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL7271774 0.74 CYP1A2 (0.61) CACNA1FCACNA1DCACNA1SCACNA1CTSHR
SCHEMBL28435076 0.74 ADORA3 (0.67) CACNA1FCACNA1DCACNA1SCACNA1CABCC1

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